UCSF

ZINC10439235

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2007 31 Yes

Popular Name: 7-ethyl-4-(4-methoxyphenyl)-8-methyl-3-(1-piperidylcarbonylmethylsulfanyl)-9-thia-2,4-diazabicyclo[4 7-ethyl-4-(4-methoxyphenyl)-8-me…

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Download: MOL2 SDF SMILES Flexibase

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) 4.38 -0.32 -14.17 0 6 0 64 457.621 6 ↓

Activity (Go SEA)

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