| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 20 | Yes |
Popular Name: N-[(1S)-1-[3-bromo-4-(1-methylpyrazol-4-yl)sulfanyl-phenyl]ethyl]propan-1-amine N-[(1S)-1-[3-bromo-4-(1-methylpy…
| 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) | 4.01 | 9.08 | -44.07 | 2 | 3 | 1 | 34 | 355.325 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.01 | 7.98 | -5.96 | 1 | 3 | 0 | 30 | 354.317 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
