In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 12th, 2008 | 24 | 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) | 4.46 | 8.05 | -45.06 | 3 | 3 | 1 | 50 | 327.492 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.46 | 8.26 | -75.67 | 4 | 3 | 2 | 51 | 328.5 | 5 | ↓ |