| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 19 | Yes |
Popular Name: N-[(1S)-1-[3-bromo-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethyl]propan-1-amine N-[(1S)-1-[3-bromo-4-(1H-1,2,4-t…
| 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) | 3.58 | 8.47 | -47.17 | 3 | 4 | 1 | 58 | 342.286 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.58 | 8.28 | -64.92 | 2 | 4 | 0 | 56 | 341.278 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
