| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 20 | Yes |
Popular Name: (3S)-3-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]pentan-1-amine (3S)-3-[4-(2-pyridylmethyl)-1,4-…
| 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) | 0.67 | 3.32 | -43.57 | 3 | 4 | 1 | 47 | 277.436 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.67 | 4.68 | -173.88 | 5 | 4 | 3 | 49 | 279.452 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.67 | 4.76 | -109.37 | 4 | 4 | 2 | 48 | 278.444 | 6 | ↓ |
