In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 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) | 3.24 | 11.55 | -16.22 | 1 | 7 | 0 | 80 | 475.637 | 11 | ↓ |
Lo Low (pH 4.5-6) | 3.24 | 12.11 | -48.84 | 2 | 7 | 1 | 81 | 476.645 | 11 | ↓ |