In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2009 | 30 | Yes |
Popular Name: 2-phenyl-N-[6-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]acetamide 2-phenyl-N-[6-[4-(2-pyridylmethy…
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) | 2.68 | 12.19 | -43.18 | 2 | 6 | 1 | 63 | 402.522 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.68 | 12.52 | -96.37 | 3 | 6 | 2 | 64 | 403.53 | 6 | ↓ |