In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 22 | 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) | 3.13 | 11.11 | -40.93 | 1 | 4 | 1 | 45 | 293.346 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.13 | 10.59 | -12.44 | 0 | 4 | 0 | 44 | 292.338 | 6 | ↓ |