In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2008 | 30 | 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) | 5.03 | 12.57 | -7.82 | 0 | 3 | 0 | 33 | 418.537 | 3 | ↓ |
Lo Low (pH 4.5-6) | 5.03 | 13.49 | -32.58 | 1 | 3 | 1 | 34 | 419.545 | 3 | ↓ |