In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 29th, 2008 | 32 | Yes |
Popular Name: 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide 2-[4-[(4-methoxyphenyl)methyl]pi…
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) | 2.33 | 6.56 | -47.57 | 2 | 8 | 1 | 74 | 444.552 | 10 | ↓ |
Hi High (pH 8-9.5) | 2.33 | 4.16 | -14.41 | 1 | 8 | 0 | 73 | 443.544 | 10 | ↓ |
Popular Name: 2-(benzyl-methyl-amino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide 2-(benzyl-methyl-amino)-N-[(3,4,…
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) | 2.38 | 7.75 | -49.47 | 2 | 6 | 1 | 61 | 359.446 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.38 | 5.51 | -13.16 | 1 | 6 | 0 | 60 | 358.438 | 9 | ↓ |
Popular Name: 2-(benzyl-ethyl-amino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide 2-(benzyl-ethyl-amino)-N-[(3,4,5…
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) | 2.75 | 8.44 | -45.41 | 2 | 6 | 1 | 61 | 373.473 | 10 | ↓ |
Hi High (pH 8-9.5) | 2.75 | 6.36 | -12.78 | 1 | 6 | 0 | 60 | 372.465 | 10 | ↓ |
Popular Name: 2-[(3-methoxyphenyl)methyl-methyl-amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide 2-[(3-methoxyphenyl)methyl-methy…
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) | 2.41 | 7.05 | -50.96 | 2 | 7 | 1 | 70 | 389.472 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.41 | 4.81 | -14.76 | 1 | 7 | 0 | 69 | 388.464 | 10 | ↓ |
Popular Name: 2-[(4-methoxyphenyl)methyl-methyl-amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide 2-[(4-methoxyphenyl)methyl-methy…
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) | 2.44 | 1.04 | -51.71 | 2 | 7 | 1 | 70 | 389.472 | 10 | ↓ |
Popular Name: 2-[(3,4-dimethoxyphenyl)methyl-methyl-amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide 2-[(3,4-dimethoxyphenyl)methyl-m…
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) | 2.03 | 7.01 | -56.03 | 2 | 8 | 1 | 80 | 419.498 | 11 | ↓ |