In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2009 | 28 | 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) | 2.55 | 7.71 | -15.71 | 1 | 6 | 0 | 79 | 403.548 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.55 | 8.17 | -61.75 | 2 | 6 | 1 | 81 | 404.556 | 6 | ↓ |