UCSF

ZINC01719179

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 11 Yes

Popular Name: 1-Methyl-6,7-dihydro-1H-indol-4(5H)-one 1-Methyl-6,7-dihydro-1H-indol-4(…

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CAS Numbers: 51471-08-0 , [51471-08-0]

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) 1.19 5.57 -11.9 0 2 0 22 149.193 0 ↓

Vendor Notes

Note Type Comments Provided By
mp 84 - 86 MolMall (formerly Molecular Diversity Preservation International)
Purity 95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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