| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 12th, 2011 | 18 | Yes |
Popular Name: [5-(1-ethyl-1-phenyl-propyl)-4H-1,2,4-triazol-3-yl]methanamine [5-(1-ethyl-1-phenyl-propyl)-4H-…
| 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) | 2.18 | 4.59 | -41.62 | 4 | 4 | 1 | 69 | 245.35 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.18 | 4.93 | -7.17 | 3 | 4 | 0 | 68 | 244.342 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.18 | 5.2 | -36.89 | 3 | 4 | 0 | 68 | 244.342 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
