| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2010 | 18 | Yes |
Popular Name: N-[(4-bromo-2-chloro-phenyl)methyl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[(4-bromo-2-chloro-phenyl)meth…
| 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) | 1.15 | 1.79 | -8.52 | 3 | 6 | 0 | 91 | 331.557 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.61 | -0.77 | -46.59 | 2 | 6 | -1 | 94 | 330.549 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.61 | 0.32 | -22.42 | 3 | 6 | 0 | 95 | 331.557 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
