In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2008 | 30 | 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) | 3.75 | 2.25 | -50.38 | 2 | 6 | -1 | 109 | 417.57 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.75 | 1.13 | -10.8 | 3 | 6 | 0 | 106 | 418.578 | 4 | ↓ |