In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 16th, 2010 | 25 | 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) | 3.13 | 8.11 | -16.25 | 0 | 4 | 0 | 46 | 357.454 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.13 | 10.47 | -46.55 | 1 | 4 | 1 | 47 | 358.462 | 4 | ↓ |