In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2008 | 33 | 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) | 4.94 | 14.97 | -14.5 | 1 | 6 | 0 | 67 | 456.468 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.94 | 15.42 | -40.22 | 2 | 6 | 1 | 68 | 457.476 | 5 | ↓ |