UCSF

ZINC67051243

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2011 24 No

Popular Name: 2-(2-dimethylaminoethyloxy)-N-[2-(4-methyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]benzamide 2-(2-dimethylaminoethyloxy)-N-[2…

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Physical Representations

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) 1.14 9.11 -48.84 3 7 1 76 350.468 8 ↓
Hi High (pH 8-9.5) 1.86 6.48 -58.25 1 7 -1 72 348.452 8 ↓
Mid Mid (pH 6-8) 1.86 9 -68.03 2 7 0 73 349.46 8 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.