In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 2010 | 24 | Yes |
Popular Name: 1-[(1S)-1-phenylethyl]-2-[(1R)-1-pyrrolidin-1-ylethyl]benzimidazole 1-[(1S)-1-phenylethyl]-2-[(1R)-1…
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 | 12.13 | -36.57 | 1 | 3 | 1 | 22 | 320.46 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.33 | 9.65 | -9.09 | 0 | 3 | 0 | 21 | 319.452 | 4 | ↓ |
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) | 4.47 | 12.44 | -37.75 | 1 | 3 | 1 | 22 | 320.46 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.47 | 10.24 | -8.99 | 0 | 3 | 0 | 21 | 319.452 | 4 | ↓ |
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) | 4.47 | 12.4 | -36.09 | 1 | 3 | 1 | 22 | 320.46 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.47 | 10.26 | -8.96 | 0 | 3 | 0 | 21 | 319.452 | 4 | ↓ |
Popular Name: 2-[1-(1-piperidyl)ethyl]-1-(p-tolylmethyl)benzoimidazole 2-[1-(1-piperidyl)ethyl]-1-(p-to…
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) | 4.92 | 13.16 | -37.7 | 1 | 3 | 1 | 22 | 334.487 | 4 | ↓ |
Popular Name: 2-[1-(1-piperidyl)ethyl]-1-(p-tolylmethyl)benzoimidazole 2-[1-(1-piperidyl)ethyl]-1-(p-to…
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) | 4.92 | 13.22 | -36.01 | 1 | 3 | 1 | 22 | 334.487 | 4 | ↓ |