| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 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) | 0.69 | 1.05 | -38.39 | 2 | 3 | 1 | 29 | 185.291 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.69 | -0.21 | -2.15 | 1 | 3 | 0 | 24 | 184.283 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.69 | 2.03 | -33.13 | 2 | 3 | 1 | 26 | 185.291 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.69 | 3.29 | -106 | 3 | 3 | 2 | 30 | 186.299 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
