UCSF

ZINC06482374

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2006 15 No

Popular Name: 1-Propyl-1H-indole-2,3-dione 3-oxime 1-Propyl-1H-indole-2,3-dione 3-o…

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CAS Number: 571155-37-8

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) 2.17 4.28 -11.68 1 4 0 55 204.229 2 ↓
Ref Reference (pH 7) 1.83 3.95 -9.49 0 4 0 50 204.229 3 ↓
Ref Reference (pH 7) 2.17 3.58 -10.41 1 4 0 55 204.229 2 ↓
Hi High (pH 8-9.5) 2.17 5.44 -62.42 0 4 -1 57 203.221 2 ↓
Hi High (pH 8-9.5) 2.17 4.59 -55.39 0 4 -1 57 203.221 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID US5364617; WO1991016034A1 IBM Patent Data

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