In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 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) | 3.07 | 4.82 | -49.61 | 3 | 3 | 1 | 40 | 309.861 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.07 | 6.98 | -120.03 | 4 | 3 | 2 | 41 | 310.869 | 4 | ↓ |