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) | 3.19 | 11.29 | -16.62 | 1 | 7 | 0 | 80 | 441.535 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.19 | 11.67 | -39.3 | 2 | 7 | 1 | 81 | 442.543 | 7 | ↓ |