UCSF

ZINC33812604

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 31 No

Popular Name: 5-[(E)-(3-allyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-4-methyl-6-(4-methylpiperazin-1-yl)-2-o 5-[(E)-(3-allyl-4-oxo-2-thioxo-t…

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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) 2.26 13.82 -76.13 1 7 1 75 458.633 6 ↓
Mid Mid (pH 6-8) 2.26 9.71 -17.62 0 7 0 74 457.625 6 ↓

Activity (Go SEA)

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