| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 21 | Yes |
Popular Name: (3S)-3-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]pentan-1-amine (3S)-3-[4-(p-tolylmethyl)-1,4-di…
| 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) | 2.29 | 5.89 | -43.02 | 3 | 3 | 1 | 34 | 290.475 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.29 | 7.24 | -112.05 | 4 | 3 | 2 | 35 | 291.483 | 6 | ↓ |
