In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 14 | 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) | 0.44 | 3.32 | -46.78 | 2 | 4 | 0 | 60 | 200.282 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.44 | 5.74 | -101.95 | 3 | 4 | 1 | 61 | 201.29 | 5 | ↓ |