| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 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) | 1.44 | 3.55 | -46.87 | 3 | 2 | 1 | 29 | 213.251 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.44 | 3.32 | -45.34 | 3 | 2 | 1 | 29 | 213.251 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.44 | 2.21 | -5.21 | 2 | 2 | 0 | 24 | 212.243 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.44 | 4.68 | -131.4 | 4 | 2 | 2 | 33 | 214.259 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
