In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 7th, 2010 | 25 | 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) | 5.74 | 11.12 | -55.1 | 0 | 3 | -1 | 49 | 343.487 | 6 | ↓ |
Lo Low (pH 4.5-6) | 5.74 | 10.54 | -6.46 | 1 | 3 | 0 | 47 | 344.495 | 6 | ↓ |