In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2009 | 35 | 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) | 1.62 | 4.15 | -40.05 | 1 | 9 | -1 | 116 | 483.493 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.62 | 4.03 | -15.47 | 2 | 9 | 0 | 113 | 484.501 | 5 | ↓ |