In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 2010 | 33 | 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) | 3.40 | 12.51 | -16.14 | 0 | 7 | 0 | 68 | 450.583 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.40 | 12.71 | -27.01 | 1 | 7 | 1 | 69 | 451.591 | 9 | ↓ |