UCSF

ZINC34792439

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 25 Yes

Popular Name: methyl 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate methyl 1-(4-methoxyphenyl)-2,3,4…

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CAS Number: 1214193-64-2

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) 3.61 7.15 -8.53 2 5 0 63 336.391 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US6025494; US6127542; US6143746 IBM Patent Data

Activity (Go SEA)

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

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