In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 24th, 2009 | 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) | 5.94 | 13.02 | -7.96 | 0 | 3 | 0 | 22 | 440.008 | 6 | ↓ |
Mid Mid (pH 6-8) | 5.94 | 14.45 | -50.19 | 1 | 3 | 1 | 23 | 441.016 | 6 | ↓ |