In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 15th, 2010 | 22 | Yes |
Popular Name: 1-(2-fluorophenyl)-N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]methanamine 1-(2-fluorophenyl)-N-[[3-fluoro-…
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) | 2.11 | 10.73 | -54.23 | 2 | 4 | 1 | 47 | 301.32 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.11 | 9.36 | -8.18 | 1 | 4 | 0 | 43 | 300.312 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.