In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2009 | 25 | Yes |
Popular Name: N-[6-(4-propanoyl-1,4-diazepan-1-yl)-3-pyridyl]thiophene-2-carboxamide N-[6-(4-propanoyl-1,4-diazepan-1…
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) | 2.46 | 8.21 | -13.86 | 1 | 6 | 0 | 66 | 358.467 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.46 | 8.57 | -43.15 | 2 | 6 | 1 | 67 | 359.475 | 4 | ↓ |