UCSF

ZINC55153878

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 23 Yes

Popular Name: (1R,2S)-N1-allyl-N2-[2-(1H-triazol-5-ylsulfanyl)ethyl]cyclohexane-1,2-dicarboxamide (1R,2S)-N1-allyl-N2-[2-(1H-triaz…

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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) 1.52 3.62 -14.56 3 7 0 100 337.449 8 ↓
Hi High (pH 8-9.5) 1.52 3.61 -46.36 2 7 -1 98 336.441 8 ↓

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

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