| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 19 | No |
Popular Name: 5-[methyl-[(2S)-2-methylbutyl]amino]-4-phenyl-1,2,4-triazole-3-thiol 5-[methyl-[(2S)-2-methylbutyl]am…
| 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) | 2.77 | 11.4 | -11.2 | 1 | 4 | 0 | 37 | 276.409 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.77 | 11.69 | -43.39 | 2 | 4 | 1 | 38 | 277.417 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.50 | 11.41 | -45.42 | 1 | 4 | 0 | 35 | 276.409 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
