In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 31st, 2009 | 39 | No |
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) | 2.65 | 12.15 | -53.34 | 2 | 8 | -1 | 134 | 522.581 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.65 | 13.29 | -51.42 | 3 | 8 | 0 | 138 | 523.589 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.65 | 13.06 | -44.51 | 3 | 8 | 0 | 138 | 523.589 | 7 | ↓ |