UCSF

ZINC67074127

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2011 27 No

Popular Name: N-[2-(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]-4-(4-nitroanilino)butanamide N-[2-(4-isopropyl-5-sulfanyl-1,2…

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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) 1.56 8.45 -27.92 3 9 0 121 392.485 10 ↓
Mid Mid (pH 6-8) 2.29 8.39 -57.99 2 9 -1 118 391.477 10 ↓

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

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