In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 19th, 2010 | 23 | Yes |
Popular Name: 1-(2,4-dimethylphenyl)-N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]methanamine 1-(2,4-dimethylphenyl)-N-[[3-flu…
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) | 2.82 | 12 | -56.76 | 2 | 4 | 1 | 47 | 311.384 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.82 | 10.63 | -8.1 | 1 | 4 | 0 | 43 | 310.376 | 5 | ↓ |