In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 25th, 2010 | 16 | 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) | 3.79 | 8.94 | -52.22 | 0 | 3 | -1 | 43 | 220.292 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.79 | 8.47 | -40.17 | 1 | 3 | 0 | 45 | 221.3 | 4 | ↓ |