UCSF

ZINC01442043

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 21 No

Popular Name: 2-(3-amino-5-chloro-4-hydroxybenzyl)-1H-isoindole-1,3(2H)-dione 2-(3-amino-5-chloro-4-hydroxyben…

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CAS Numbers: , 696650-05-2

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) 2.92 3.44 -10.1 3 5 0 85 302.717 2 ↓
Hi High (pH 8-9.5) 2.92 4.2 -47.28 2 5 -1 88 301.709 2 ↓

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