UCSF

ZINC04654765

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2005 14 Yes

Popular Name: ECGONINE METHYL ESTER ECGONINE METHYL ESTER

Find On: PubMed — Wikipedia — Google

CAS Number: 7143-09-1

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) 0.44 0.1 -30.25 2 4 1 50 200.258 2 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 5.87e+02 g/l DrugBank-experimental
UniProt Database Links COCE_RHOSM; EST2_HUMAN; MER_ERYCB ChEBI
PUBCHEM_PATENT_ID EP0687681A1; US5268480; US5391744; US5730985; US6017541 IBM Patent Data

Activity (Go SEA)

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