UCSF

ZINC33803878

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 13 No

Popular Name: 1-methyl-3-thioxo-3,5,6,7-tetrahydro-2H-cyclopenta[c]pyridine-4-carbonitrile 1-methyl-3-thioxo-3,5,6,7-tetrah…

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CAS Number:

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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) 1.92 5.81 -48.44 0 2 -1 37 189.263 0 ↓
Mid Mid (pH 6-8) 1.20 6.19 -24.48 1 2 0 40 190.271 0 ↓

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