In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 21 | 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) | 3.30 | 7.69 | -33.45 | 2 | 3 | 0 | 29 | 289.443 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.30 | 7.37 | -89.7 | 3 | 3 | 0 | 30 | 290.451 | 5 | ↓ |