In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 8th, 2011 | 22 | 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) | 4.44 | 11.21 | -45.03 | 0 | 3 | -1 | 49 | 297.374 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.44 | 9.23 | -8.75 | 1 | 3 | 0 | 47 | 298.382 | 7 | ↓ |