UCSF

ZINC33351602

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 31st, 2009 28 No

Popular Name: (5E)-5-[[1-(4-chloro-3-nitro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-1-methyl-2-thioxo-hexahydro (5E)-5-[[1-(4-chloro-3-nitro-phe…

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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) 2.56 9.09 -49.39 0 8 -1 109 417.854 3 ↓
Lo Low (pH 4.5-6) 2.11 10.83 -13.4 1 8 0 106 418.862 3 ↓

Activity (Go SEA)

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