UCSF

ZINC16511487

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2008 20 No

Popular Name: (2Z,3Z)-3-hydroxyimino-2-(phenylhydrazono)indan-1-one (2Z,3Z)-3-hydroxyimino-2-(phenyl…

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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) 3.15 5.14 -10.38 2 5 0 74 265.272 2 ↓
Mid Mid (pH 6-8) 3.15 6.16 -58.53 1 5 -1 77 264.264 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80852-1-O A-431 (Epidermoid Carcinoma Cells) (cluster #1 Of 3), Other Other 6000 0.37 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80852 Z80852 A-431 (Epidermoid Carcinoma Cells) 6000 0.37 Functional ≤ 10μM

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

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