In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 8th, 2008 | 30 | 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) | 4.78 | 6.48 | -47.32 | 1 | 7 | -1 | 100 | 423.518 | 8 | ↓ |
Lo Low (pH 4.5-6) | 4.32 | 7.91 | -14.46 | 2 | 7 | 0 | 97 | 424.526 | 8 | ↓ |