In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 3rd, 2012 | 31 | 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) | 2.81 | 7.1 | -51.29 | 2 | 7 | -1 | 108 | 431.505 | 11 | ↓ |
Lo Low (pH 4.5-6) | 2.81 | 5.12 | -14.96 | 3 | 7 | 0 | 105 | 432.513 | 11 | ↓ |