UCSF

ZINC66859099

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 2nd, 2011 25 No

Popular Name: N-methyl-N-[1-[(3-thioxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)methyl]-4-piperidyl N-methyl-N-[1-[(3-thioxo-6,7,8,9…

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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) 0.89 9 -47.2 1 7 1 65 388.583 5 ↓
Mid Mid (pH 6-8) 0.89 6.73 -17.8 0 7 0 63 387.575 5 ↓

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

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