| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 15 | 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) | 2.41 | 4.53 | -43.2 | 3 | 3 | 1 | 45 | 220.321 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.41 | 2.84 | -7.01 | 2 | 3 | 0 | 41 | 219.313 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.41 | 4.92 | -92.84 | 4 | 3 | 2 | 47 | 221.329 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
