UCSF

ZINC16121461

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2008 13 No

Popular Name: (3Z)-5-Methyl-1H-indole-2,3-dione 3-oxime (3Z)-5-Methyl-1H-indole-2,3-dion…

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CAS Number: 13208-98-5

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) 1.65 1.26 -10.37 2 4 0 65 176.175 0 ↓
Ref Reference (pH 7) 1.14 0.93 -8.35 1 4 0 59 176.175 1 ↓
Ref Reference (pH 7) 1.65 0.55 -9.49 2 4 0 65 176.175 0 ↓
Lo Low (pH 4.5-6) 2.31 1.31 -12.05 2 4 0 65 176.175 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 239 - 241 Enamine Building Blocks
MP 239...241 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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