In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 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) | 2.52 | 3.71 | -50.03 | 2 | 5 | -1 | 98 | 398.205 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.52 | 3.67 | -12.11 | 3 | 5 | 0 | 96 | 399.213 | 3 | ↓ |