| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 17 | Yes |
Popular Name: (1S)-1-(2-chloro-4-fluoro-phenyl)-N-(4H-1,2,4-triazol-3-ylmethyl)ethanamine (1S)-1-(2-chloro-4-fluoro-phenyl…
None
| 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) | 1.78 | 6.35 | -33.1 | 2 | 4 | 0 | 56 | 254.696 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.78 | 5.32 | -6.14 | 2 | 4 | 0 | 54 | 254.696 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.78 | 6.48 | -49.81 | 3 | 4 | 1 | 58 | 255.704 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
