| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 17 | Yes |
Popular Name: (1S)-1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-1-phenyl-ethanamine (1S)-1-(4-ethyl-5-methyl-1,2,4-t…
| 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) | 1.44 | 5.99 | -48.58 | 3 | 4 | 1 | 58 | 231.323 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.44 | 6.32 | -10.29 | 2 | 4 | 0 | 57 | 230.315 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
