| 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) | 1.12 | 5.24 | -35.64 | 2 | 3 | 1 | 34 | 180.275 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.12 | 4.47 | -24.25 | 2 | 3 | 1 | 31 | 180.275 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.12 | 3.97 | -7.87 | 1 | 3 | 0 | 30 | 179.267 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.12 | 5.97 | -97.9 | 3 | 3 | 2 | 36 | 181.283 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
