In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2008 | 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) | 3.68 | 8.82 | -35.96 | 1 | 2 | 1 | 8 | 277.407 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.68 | 8.89 | -39.1 | 1 | 2 | 1 | 8 | 277.407 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.68 | 6.56 | -2.66 | 0 | 2 | 0 | 6 | 276.399 | 3 | ↓ |