| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 30th, 2010 | 20 | Yes |
Popular Name: 4-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]butanenitrile 4-[4-(p-tolylmethyl)-1,4-diazepa…
| 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) | 2.08 | 7.16 | -8.6 | 0 | 3 | 0 | 30 | 271.408 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.08 | 11.4 | -127.11 | 2 | 3 | 2 | 33 | 273.424 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.08 | 9.49 | -46.32 | 1 | 3 | 1 | 31 | 272.416 | 5 | ↓ |
