In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 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) | 6.17 | 14.52 | -12.36 | 1 | 5 | 0 | 56 | 441.575 | 9 | ↓ |
Lo Low (pH 4.5-6) | 6.17 | 15.21 | -37.04 | 2 | 5 | 1 | 57 | 442.583 | 9 | ↓ |