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) | 1.56 | 5.04 | -7.71 | 1 | 4 | 0 | 42 | 286.375 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.56 | 6.36 | -41.14 | 2 | 4 | 1 | 46 | 287.383 | 1 | ↓ |