UCSF

ZINC01385161

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 24 Yes

Popular Name: 3-(1H-indol-3-yl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid 3-(1H-indol-3-yl)-2-(1-oxo-1,3-d…

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CAS Number: 860787-13-9

Other Names:

MFCD04124608

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) 0.69 -0.06 -67.1 1 5 -1 76 319.34 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 110 - 114 KeyOrganics

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