In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 29 | 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) | 3.02 | 10.8 | -14.1 | 0 | 5 | 0 | 51 | 408.864 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.02 | 11.34 | -32.39 | 1 | 5 | 1 | 52 | 409.872 | 5 | ↓ |