In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 25th, 2004 | 28 | Yes |
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) | 4.13 | 9.11 | -12.84 | 1 | 5 | 0 | 50 | 412.843 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.31 | 9.5 | -30.48 | 2 | 5 | 1 | 55 | 413.851 | 3 | ↓ |