| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2010 | 21 | Yes |
Popular Name: 3-[4-[(3,4-dichlorophenyl)methyl]-1,4-diazepan-1-yl]propanoic 3-[4-[(3,4-dichlorophenyl)methyl…
| 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) | 2.70 | 9.07 | -46.45 | 1 | 4 | 0 | 48 | 331.243 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.70 | 9.26 | -67.94 | 1 | 4 | 0 | 48 | 331.243 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.70 | 11.09 | -116.85 | 2 | 4 | 1 | 49 | 332.251 | 5 | ↓ |
