| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2011 | 22 | Yes |
Popular Name: 3-bromo-N-[[6-(dimethylamino)-3-pyridyl]methyl]-2-hydroxy-5-methyl-benzamide 3-bromo-N-[[6-(dimethylamino)-3-…
| 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) | 3.18 | 6.65 | -39.36 | 3 | 5 | 1 | 67 | 365.251 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.18 | 7.35 | -51.18 | 1 | 5 | -1 | 68 | 363.235 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.18 | 6.35 | -10.95 | 2 | 5 | 0 | 65 | 364.243 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
