UCSF

ZINC67051040

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2011 27 No

Popular Name: N3-[2-(4-methyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]-N1,N1-dipropyl-benzene-1,3-dicarboxamide N3-[2-(4-methyl-5-sulfanyl-1,2,4…

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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) 1.25 9.41 -32.61 2 7 0 83 389.525 9 ↓
Mid Mid (pH 6-8) 1.98 9.31 -63.23 1 7 -1 80 388.517 9 ↓

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

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