UCSF

ZINC67074819

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Substance Information

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

Popular Name: N-[2-(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]-1H-indole-2-carboxamide 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) 1.75 7.27 -21.54 3 6 0 79 329.429 5 ↓
Mid Mid (pH 6-8) 2.48 7.22 -52.04 2 6 -1 76 328.421 5 ↓

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

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