UCSF

ZINC04215863

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 21 No

Popular Name: ETHYLESTRENOL ETHYLESTRENOL

Find On: PubMed — Wikipedia — Google

CAS Number: 965-90-2

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) 5.52 9.21 -1.49 1 1 0 20 288.475 1 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 8.60e-04 g/l DrugBank-Street Drugs
PUBCHEM_PATENT_ID EP0324037A1; EP0364016A1; EP0479867A1; EP0479867B1; EP0496520A1; EP0538443A1; EP0538443B1; EP0659432A1; EP0659432B1; EP0722720A1; EP0722720B1; EP0748190A1; EP0801561A2; EP0803250A1; EP0830859A3; EP0927556A1; EP0927556B1; EP0954317A2; EP0998289A1; EP102120 IBM Patent Data
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP02030e; NCC_CONTROLLED_SUBSTANCE : DEA SCHEDULE 3 NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP02030e NIH Clinical Collection via PubChem

Activity (Go SEA)

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