In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2011 | 21 | Yes |
Popular Name: N-[(2-chloro-4-fluoro-phenyl)methyl]-N-(2-methoxyethyl)-1H-triazole-4-carboxamide N-[(2-chloro-4-fluoro-phenyl)met…
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) | 1.62 | 5.08 | -10.28 | 1 | 6 | 0 | 71 | 312.732 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.62 | 5.06 | -41.92 | 0 | 6 | -1 | 69 | 311.724 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.