In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 13th, 2007 | 34 | 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) | 3.08 | 7.81 | -16.81 | 1 | 9 | 0 | 99 | 486.594 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.08 | 7.86 | -47.83 | 2 | 9 | 1 | 100 | 487.602 | 6 | ↓ |