In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2008 | 10 | 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) | -0.46 | 0.99 | -41.15 | 3 | 3 | 1 | 48 | 145.226 | 2 | ↓ |
Mid Mid (pH 6-8) | -0.46 | 0.67 | -8.38 | 2 | 3 | 0 | 46 | 144.218 | 2 | ↓ |