In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 19th, 2006 | 25 | No |
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) | 1.82 | 3.37 | -10.1 | 3 | 6 | 0 | 101 | 333.326 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.82 | 3.8 | -55.24 | 4 | 6 | 1 | 102 | 334.334 | 2 | ↓ |