In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 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) | 3.63 | 5.37 | -41.52 | 3 | 2 | 1 | 31 | 229.432 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.63 | 6.24 | -26.45 | 3 | 2 | 1 | 30 | 229.432 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.63 | 6.61 | -112.31 | 4 | 2 | 2 | 32 | 230.44 | 9 | ↓ |