| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2011 | 17 | 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) | 1.95 | 3.46 | -9.15 | 1 | 4 | 0 | 59 | 223.235 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.95 | 4.23 | -47.06 | 0 | 4 | -1 | 62 | 222.227 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.95 | 3.95 | -35.57 | 2 | 4 | 1 | 60 | 224.243 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
