| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 24th, 2010 | 16 | No |
Popular Name: 3-(2-amino-4,5,6,7-tetrahydrobenzothiophen-3-yl)-1,4-dihydro-1,2,4-triazol-5-one 3-(2-amino-4,5,6,7-tetrahydroben…
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| 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) | 0.78 | 1.61 | -9.67 | 3 | 5 | 0 | 85 | 236.3 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.52 | 1.64 | -7.7 | 4 | 5 | 0 | 88 | 236.3 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.23 | 1.26 | -47.8 | 2 | 5 | -1 | 88 | 235.292 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
