In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2010 | 19 | 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) | 2.08 | 6.89 | -9.29 | 0 | 4 | 0 | 52 | 317.142 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.08 | 7.06 | -33.02 | 1 | 4 | 1 | 53 | 318.15 | 2 | ↓ |