In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2009 | 15 | 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) | 2.62 | 5.44 | -44.64 | 1 | 3 | -1 | 60 | 247.723 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.62 | 3.46 | -7.49 | 2 | 3 | 0 | 58 | 248.731 | 6 | ↓ |