In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 18th, 2008 | 20 | 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) | 1.55 | 5.19 | -11.51 | 1 | 4 | 0 | 55 | 263.3 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.55 | 5.47 | -36.48 | 2 | 4 | 1 | 56 | 264.308 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.55 | 5.47 | -45.79 | 2 | 4 | 1 | 56 | 264.308 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.55 | 5.75 | -79.48 | 3 | 4 | 2 | 57 | 265.316 | 3 | ↓ |