| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2011 | 22 | 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) | -0.63 | 5.73 | -15.22 | 2 | 9 | 0 | 95 | 308.39 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.63 | 8.17 | -45.31 | 3 | 9 | 1 | 96 | 309.398 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.63 | 5.95 | -34.78 | 3 | 9 | 1 | 96 | 309.398 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.63 | 6.08 | -36.22 | 3 | 9 | 1 | 96 | 309.398 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
