In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 21st, 2007 | 38 | 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) | 7.42 | 3.64 | -51.81 | 2 | 5 | 1 | 62 | 523.713 | 14 | ↓ |
Mid Mid (pH 6-8) | 6.84 | 3.55 | -63.28 | 1 | 5 | 1 | 58 | 523.713 | 14 | ↓ |