| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 3rd, 2011 | 16 | Yes |
Popular Name: [5-[(2-chloro-4-fluoro-phenyl)methyl]-4H-1,2,4-triazol-3-yl]methanamine [5-[(2-chloro-4-fluoro-phenyl)me…
| 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) | 1.52 | 3.54 | -42.78 | 4 | 4 | 1 | 69 | 241.677 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.52 | 3.55 | -36.94 | 3 | 4 | 0 | 68 | 240.669 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.52 | 3.29 | -6.73 | 3 | 4 | 0 | 68 | 240.669 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
