In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 6th, 2008 | 30 | No |
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) | 2.83 | 9.62 | -74.95 | 1 | 6 | 0 | 74 | 412.461 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.27 | 8.5 | -58.95 | 2 | 6 | 1 | 71 | 413.469 | 7 | ↓ |