In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 16th, 2010 | 18 | 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) | 1.34 | 6.37 | -49.78 | 3 | 4 | 1 | 57 | 243.334 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.34 | 6.83 | -85.18 | 4 | 4 | 2 | 58 | 244.342 | 2 | ↓ |