| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 17th, 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) | 1.26 | 1.04 | -43.32 | 4 | 5 | 1 | 78 | 307.414 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.26 | 0.2 | -21.32 | 3 | 5 | 0 | 81 | 306.406 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.26 | 1.62 | -34.32 | 3 | 5 | 0 | 81 | 306.406 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.26 | 2.04 | -40.67 | 4 | 5 | 1 | 82 | 307.414 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
