In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2010 | 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) | 3.26 | 10.3 | -12.33 | 0 | 7 | 0 | 89 | 418.478 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.26 | 10.9 | -33.24 | 1 | 7 | 1 | 90 | 419.486 | 4 | ↓ |