In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2009 | 28 | Yes |
Popular Name: N-[6-[4-(2-furylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]cyclohexanecarboxamide N-[6-[4-(2-furylmethyl)-1,4-diaz…
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) | 3.60 | 11.46 | -42.23 | 2 | 6 | 1 | 63 | 383.516 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.60 | 11.81 | -96.12 | 3 | 6 | 2 | 64 | 384.524 | 5 | ↓ |