| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2010 | 21 | No |
Popular Name: 3-[1-(azocan-1-ylmethyl)-4-methyl-5-thioxo-1,2,4-triazol-3-yl]propanamide 3-[1-(azocan-1-ylmethyl)-4-methy…
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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) | 0.74 | 7.88 | -40.98 | 3 | 6 | 1 | 70 | 312.463 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.74 | 6.58 | -14.07 | 2 | 6 | 0 | 69 | 311.455 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
