UCSF

ZINC66859155

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 2nd, 2011 24 No

Popular Name: N-[1-[(4-allyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-4-piperidyl]-N-methyl-ethanesulfonamide N-[1-[(4-allyl-3-methyl-5-thioxo…

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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) 0.43 8.97 -47.8 1 7 1 65 374.556 7 ↓
Mid Mid (pH 6-8) 0.43 6.73 -18.89 0 7 0 63 373.548 7 ↓

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

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