In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 1st, 2012 | 19 | Yes |
None
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) | 4.80 | 6.03 | -7.32 | 0 | 3 | 0 | 39 | 317.186 | 2 | ↓ |
Lo Low (pH 4.5-6) | 4.80 | 6.48 | -38.31 | 1 | 3 | 1 | 40 | 318.194 | 2 | ↓ |