| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2010 | 21 | Yes |
Popular Name: 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl-[(4-methylsulfanylphenyl)methyl]amino]ethanol 2-[(2-ethyl-1,2,4-triazol-3-yl)m…
| 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) | 0.94 | 5.78 | -7.06 | 1 | 5 | 0 | 54 | 306.435 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.94 | 7.77 | -43.57 | 2 | 5 | 1 | 55 | 307.443 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
