UCSF

ZINC67051938

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2011 23 No

Popular Name: 5-chloro-N-[2-(4-methyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]quinoline-8-carboxamide 5-chloro-N-[2-(4-methyl-5-sulfan…

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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) 1.44 7.44 -27.61 2 6 0 76 347.831 4 ↓
Mid Mid (pH 6-8) 2.17 7.32 -58.99 1 6 -1 73 346.823 4 ↓

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

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