| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 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) | 2.39 | 6.23 | -33.5 | 2 | 3 | 1 | 30 | 237.367 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.39 | 6.27 | -39.58 | 2 | 3 | 1 | 33 | 237.367 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.39 | 7.58 | -115.97 | 3 | 3 | 2 | 34 | 238.375 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
