UCSF

ZINC13682639

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 28 Yes

Popular Name: 6-benzylsulfanyl-3,3-dimethyl-8-piperazin-1-yl-1,4-dihydropyrano[4,5-d]pyridine-5-carbonitrile 6-benzylsulfanyl-3,3-dimethyl-8-…

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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) 3.34 9.68 -52.71 2 5 1 66 395.552 4 ↓
Hi High (pH 8-9.5) 3.34 8.27 -6.48 1 5 0 61 394.544 4 ↓

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

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