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) | 3.95 | 12.96 | -18.44 | 1 | 6 | 0 | 67 | 440.547 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.95 | 13.51 | -37.5 | 2 | 6 | 1 | 68 | 441.555 | 7 | ↓ |