In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 30th, 2008 | 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) | 2.73 | 9.42 | -41.28 | 1 | 7 | 1 | 55 | 412.558 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.73 | 7.05 | -10.51 | 0 | 7 | 0 | 54 | 411.55 | 7 | ↓ |