In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 15th, 2007 | 25 | 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) | 2.60 | 9.84 | -46.55 | 1 | 9 | -1 | 118 | 354.375 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.87 | 9.99 | -20.45 | 2 | 9 | 0 | 120 | 355.383 | 4 | ↓ |