UCSF

ZINC18246949

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2008 20 No

Popular Name: 2-[(3-chloroanilino)methyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione 2-[(3-chloroanilino)methyl]-3a,4…

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Other Names:

MFCD01068374

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) 2.63 6.92 -6.17 1 4 0 49 290.75 3 ↓

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

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