In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 21st, 2010 | 20 | 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) | 1.66 | 7.68 | -36.84 | 1 | 4 | 1 | 26 | 271.388 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.66 | 7.66 | -40.29 | 1 | 4 | 1 | 26 | 271.388 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.66 | 5.4 | -6.58 | 0 | 4 | 0 | 24 | 270.38 | 4 | ↓ |