| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 13 | 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) | 1.25 | 5.62 | -100.73 | 3 | 3 | 2 | 36 | 181.283 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.25 | 3.75 | -6.84 | 1 | 3 | 0 | 30 | 179.267 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.25 | 4.95 | -35.52 | 2 | 3 | 1 | 34 | 180.275 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.25 | 4.33 | -25.84 | 2 | 3 | 1 | 31 | 180.275 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
