UCSF

ZINC67119252

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2011 23 No

Popular Name: N-[2-[2-(4-cyclopropyl-5-sulfanyl-1,2,4-triazol-3-yl)ethylamino]-2-oxo-ethyl]-4-methyl-pentanamide N-[2-[2-(4-cyclopropyl-5-sulfany…

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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) 0.73 5.53 -20.76 3 7 0 92 339.465 9 ↓
Mid Mid (pH 6-8) 1.46 5.48 -51.57 2 7 -1 89 338.457 9 ↓

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

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