In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 20 | 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) | 3.77 | 5.61 | -45.01 | 3 | 3 | 1 | 40 | 283.48 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.77 | 7.07 | -122.11 | 4 | 3 | 2 | 41 | 284.488 | 7 | ↓ |