UCSF

ZINC22996552

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 25 Yes

Popular Name: methyl 1-(3-chlorobenzyl)-2-ethyl-5-methoxy-1H-indole-3-carboxylate methyl 1-(3-chlorobenzyl)-2-ethy…

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CAS Number: 1092345-30-6

Other Names:

MFCD11501778

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) 5.06 11.6 -14.3 0 4 0 40 357.837 6 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 78 - 79 KeyOrganics

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Rings

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

No pre-computed analogs available. Try a structural similarity search.