| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 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) | 1.59 | 7.43 | -39.38 | 1 | 4 | 1 | 54 | 225.275 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.59 | 7.26 | -10.76 | 0 | 4 | 0 | 53 | 224.267 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.59 | 7.42 | -43.41 | 1 | 4 | 1 | 54 | 225.275 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
