In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 19th, 2010 | 30 | 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) | 2.50 | 8.51 | -49.73 | 1 | 8 | 1 | 77 | 413.477 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.50 | 6.29 | -12.11 | 0 | 8 | 0 | 76 | 412.469 | 5 | ↓ |