| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 16 | Yes |
Popular Name: (1S)-1-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-phenyl-ethanamine (1S)-1-(5-ethyl-1H-1,2,4-triazol…
| 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) | 1.57 | 4.13 | -39.01 | 4 | 4 | 1 | 69 | 217.296 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.57 | 3.89 | -7.54 | 3 | 4 | 0 | 68 | 216.288 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
