In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 11th, 2009 | 33 | No |
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) | 5.11 | 14.52 | -48.75 | 1 | 5 | 0 | 65 | 452.57 | 10 | ↓ |
Lo Low (pH 4.5-6) | 5.11 | 13.39 | -47.02 | 2 | 5 | 1 | 62 | 453.578 | 10 | ↓ |