In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 10 | 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) | 2.32 | 4.42 | -2.05 | 0 | 1 | 0 | 3 | 139.242 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.32 | 6.9 | -31.03 | 1 | 1 | 1 | 4 | 140.25 | 5 | ↓ |