| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 13 | 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) | 0.20 | -0.34 | -41.6 | 3 | 3 | 1 | 40 | 185.291 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.20 | -0.8 | -3.63 | 2 | 3 | 0 | 38 | 184.283 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.20 | 2.33 | -31.84 | 3 | 3 | 1 | 40 | 185.291 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.20 | 2.73 | -121.29 | 4 | 3 | 2 | 41 | 186.299 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
