UCSF

ZINC12960554

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 31 No

Popular Name: 1,2-diphenyl-1,5,6,7-tetrahydro-4H-indol-4-one O-(4-chlorobenzyl)oxime 1,2-diphenyl-1,5,6,7-tetrahydro-…

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CAS Number: 338979-01-4

Other Names:

MFCD00232410

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) 6.75 16.72 -10.44 0 3 0 27 426.947 5 ↓
Ref Reference (pH 7) 6.75 16.72 -8.81 0 3 0 27 426.947 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 152 - 157 KeyOrganics

Activity (Go SEA)

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