UCSF

ZINC18189030

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 20 No

Popular Name: 2-{3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione 2-{3-nitrophenyl}-3a,4,7,7a-tetr…

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Other Names:

MFCD00523785

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) 2.14 7.87 -9.82 0 6 0 83 272.26 2 ↓
Ref Reference (pH 7) 2.14 7.89 -11.13 0 6 0 83 272.26 2 ↓

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

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