UCSF

ZINC00090458

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 Yes

Popular Name: 1-[3-(1,3-dihydro-2H-isoindol-2-yl)phenyl]-1-ethanone 1-[3-(1,3-dihydro-2H-isoindol-2-…

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CAS Number: 357302-54-6

Other Names:

MFCD01310023

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) 2.90 -1.02 -9.38 0 2 0 20 237.302 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 130 - 132 KeyOrganics

Activity (Go SEA)

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