| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 28th, 2010 | 18 | Yes |
Popular Name: N-[(1S)-1-(4-bromophenyl)ethyl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[(1S)-1-(4-bromophenyl)ethyl]-…
| 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) | 1.10 | 2.17 | -8.56 | 3 | 6 | 0 | 91 | 311.139 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.56 | -0.37 | -45.75 | 2 | 6 | -1 | 94 | 310.131 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.56 | 0.73 | -23.51 | 3 | 6 | 0 | 95 | 311.139 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
