| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 15 | Yes |
Popular Name: (1S)-1-[3-chloro-4-(1,2,4-triazol-1-yl)phenyl]ethanamine (1S)-1-[3-chloro-4-(1,2,4-triazo…
| 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) | -0.58 | 6.48 | -58.38 | 3 | 4 | 1 | 58 | 223.687 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.58 | 6.15 | -9.48 | 2 | 4 | 0 | 57 | 222.679 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
