In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2008 | 31 | 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) | 2.17 | 8.89 | -72.75 | 1 | 7 | 0 | 87 | 423.513 | 10 | ↓ |
Lo Low (pH 4.5-6) | 2.17 | 8.06 | -49.69 | 2 | 7 | 1 | 84 | 424.521 | 10 | ↓ |