In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2009 | 25 | 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) | 3.14 | 5.04 | -8.2 | 2 | 4 | 0 | 56 | 340.467 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.14 | 7.31 | -44.39 | 3 | 4 | 1 | 57 | 341.475 | 6 | ↓ |