| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 24 | 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) | 2.35 | 5.1 | -8.91 | 1 | 5 | 0 | 53 | 345.468 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.35 | 5.12 | -43.75 | 0 | 5 | -1 | 55 | 344.46 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.35 | 7.69 | -61.34 | 1 | 5 | 0 | 56 | 345.468 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.35 | 7.67 | -51.79 | 2 | 5 | 1 | 54 | 346.476 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
