In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 12th, 2010 | 32 | 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) | 3.48 | 10.7 | -16.42 | 2 | 9 | 0 | 103 | 434.5 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.66 | 10.94 | -38.65 | 3 | 9 | 1 | 108 | 435.508 | 7 | ↓ |