| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 23rd, 2010 | 20 | Yes |
Popular Name: 5-bromo-N-(4-cyano-1-methyl-4-piperidyl)pyridine-3-sulfonamide 5-bromo-N-(4-cyano-1-methyl-4-pi…
| 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) | 1.17 | 2.44 | -45.34 | 1 | 6 | 0 | 89 | 359.249 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.17 | 0.03 | -36.73 | 0 | 6 | -1 | 88 | 358.241 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.17 | -0.17 | -9.74 | 1 | 6 | 0 | 86 | 359.249 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.17 | 2.24 | -50.54 | 2 | 6 | 1 | 87 | 360.257 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
