In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 29th, 2010 | 16 | 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) | 1.29 | -0.29 | -35.66 | 3 | 5 | 1 | 85 | 220.204 | 0 | ↓ |
Mid Mid (pH 6-8) | 0.66 | 1.45 | -15.59 | 2 | 5 | 0 | 80 | 219.196 | 1 | ↓ |