UCSF

ZINC65530166

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 22 Yes

Popular Name: 3-{3-nitrophenyl}-7-methoxy-2-propionyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole 3-{3-nitrophenyl}-7-methoxy-2-pr…

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Other Names:

MFCD01242316

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) 0.10 -0.09 -47.88 3 7 1 92 334.462 7 ↓
Hi High (pH 8-9.5) 0.10 -1.56 -13.87 2 7 0 88 333.454 7 ↓

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

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