In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 31 | 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) | 3.33 | 11.88 | -16.04 | 1 | 6 | 0 | 67 | 418.541 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.33 | 12.46 | -34.51 | 2 | 6 | 1 | 68 | 419.549 | 8 | ↓ |