| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 12th, 2011 | 19 | Yes |
Popular Name: (1S)-1-[5-(1-ethyl-1-phenyl-propyl)-4H-1,2,4-triazol-3-yl]ethanamine (1S)-1-[5-(1-ethyl-1-phenyl-prop…
| 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) | 0.86 | 5.81 | -39.82 | 4 | 4 | 1 | 69 | 259.377 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.86 | 5.63 | -6.61 | 3 | 4 | 0 | 68 | 258.369 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.86 | 5.73 | -34.91 | 3 | 4 | 0 | 68 | 258.369 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
