UCSF

ZINC39750783

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 33 Yes

Popular Name: (2S)-2-[[4-allyl-5-[2-(4-chloroanilino)-2-oxo-ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-cyclopropyl-1 (2S)-2-[[4-allyl-5-[2-(4-chloroa…

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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) 2.75 10.82 -27.15 2 9 0 115 504.041 10 ↓
Hi High (pH 8-9.5) 2.94 9.28 -60.98 1 9 -1 121 503.033 10 ↓

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