| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 21 | Yes |
Popular Name: 1-(1-ethylbenzimidazol-2-yl)-N-[[(1R,2R)-2-methylcyclohexyl]methyl]methanamine 1-(1-ethylbenzimidazol-2-yl)-N-[…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 4.07 | 10.33 | -47.22 | 2 | 3 | 1 | 34 | 286.443 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.07 | 8.97 | -8.37 | 1 | 3 | 0 | 30 | 285.435 | 5 | ↓ |
Popular Name: 1-(1-ethylbenzimidazol-2-yl)-N-[(1-methyl-4-piperidyl)methyl]methanamine 1-(1-ethylbenzimidazol-2-yl)-N-[…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.34 | 9.71 | -107.33 | 3 | 4 | 2 | 39 | 288.439 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.34 | 8.34 | -42.09 | 2 | 4 | 1 | 34 | 287.431 | 5 | ↓ |
Popular Name: (1R,2R)-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-cyclohexanamine (1R,2R)-N-[(1-ethylbenzimidazol-…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.68 | 9.58 | -42.41 | 2 | 3 | 1 | 34 | 272.416 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.68 | 8.4 | -8.34 | 1 | 3 | 0 | 30 | 271.408 | 4 | ↓ |
Popular Name: (1S,2S)-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-cyclohexanamine (1S,2S)-N-[(1-ethylbenzimidazol-…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.68 | 9.58 | -42.13 | 2 | 3 | 1 | 34 | 272.416 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.68 | 8.61 | -8.07 | 1 | 3 | 0 | 30 | 271.408 | 4 | ↓ |
Popular Name: (1R,2S)-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-cyclohexanamine (1R,2S)-N-[(1-ethylbenzimidazol-…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.68 | 9.4 | -43.41 | 2 | 3 | 1 | 34 | 272.416 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.68 | 8.37 | -8.17 | 1 | 3 | 0 | 30 | 271.408 | 4 | ↓ |
Popular Name: (1S,2R)-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-cyclohexanamine (1S,2R)-N-[(1-ethylbenzimidazol-…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.68 | 9.4 | -42.4 | 2 | 3 | 1 | 34 | 272.416 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.68 | 8.32 | -8.21 | 1 | 3 | 0 | 30 | 271.408 | 4 | ↓ |
Popular Name: N-(cyclohexylmethyl)-1-(1-propylbenzimidazol-2-yl)methanamine N-(cyclohexylmethyl)-1-(1-propyl…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 4.33 | 10.62 | -46.84 | 2 | 3 | 1 | 34 | 286.443 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.33 | 9.24 | -7.96 | 1 | 3 | 0 | 30 | 285.435 | 6 | ↓ |
