UCSF

ZINC01415066

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 23 No

Popular Name: 4-methyl-N'-(4-phenylthiazol-2-yl)benzenesulfonohydrazide 4-methyl-N'-(4-phenylthiazol-2-y…

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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) 3.64 6.6 -12.01 2 5 0 71 345.449 5 ↓
Hi High (pH 8-9.5) 3.64 6.88 -44.98 1 5 -1 73 344.441 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80125-4-O DU-145 (Prostate Carcinoma) (cluster #4 Of 9), Other Other 9070 0.31 Functional ≤ 10μM
Z81020-1-O HepG2 (Hepatoblastoma Cells) (cluster #1 Of 8), Other Other 9160 0.31 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80125 Z80125 DU-145 (Prostate Carcinoma) 9070 0.31 Functional ≤ 10μM
Z81020 Z81020 HepG2 (Hepatoblastoma Cells) 9160 0.31 Functional ≤ 10μM

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

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