UCSF

ZINC24991006

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 26 No

Popular Name: 3-[(4-tetralin-6-ylsulfonylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-thione 3-[(4-tetralin-6-ylsulfonylpiper…

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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) 2.39 6.63 -17.27 0 6 0 58 410.59 4 ↓
Mid Mid (pH 6-8) 2.39 8.94 -49.32 1 6 1 60 411.598 4 ↓

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

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