| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 16 | Yes |
Popular Name: (1S)-1-(4-bromophenyl)-N-(4H-1,2,4-triazol-3-ylmethyl)ethanamine (1S)-1-(4-bromophenyl)-N-(4H-1,2…
| 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) | 1.82 | 5.45 | -6.55 | 2 | 4 | 0 | 54 | 281.157 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.82 | 6.42 | -34.93 | 2 | 4 | 0 | 56 | 281.157 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.82 | 5.47 | -7.72 | 2 | 4 | 0 | 54 | 281.157 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.82 | 6.57 | -50.65 | 3 | 4 | 1 | 58 | 282.165 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
