In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 23rd, 2009 | 30 | 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) | 2.52 | 10.46 | -57.75 | 1 | 5 | 1 | 37 | 418.508 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.52 | 12.71 | -119.15 | 2 | 5 | 2 | 38 | 419.516 | 8 | ↓ |