| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2009 | 19 | Yes |
Popular Name: (1S)-1-(4-methylsulfonylphenyl)-N-(4H-1,2,4-triazol-3-ylmethyl)ethanamine (1S)-1-(4-methylsulfonylphenyl)-…
| 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) | -0.12 | 3.37 | -43.32 | 2 | 6 | 0 | 91 | 280.353 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.12 | 2.39 | -16.12 | 2 | 6 | 0 | 88 | 280.353 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.12 | 3.49 | -59.87 | 3 | 6 | 1 | 92 | 281.361 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
