In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 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) | 3.16 | 7.6 | -68.72 | 2 | 4 | 0 | 57 | 246.31 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.16 | 5.69 | -38.12 | 3 | 4 | 1 | 54 | 247.318 | 3 | ↓ |