UCSF

ZINC19300218

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2008 12 Yes

Popular Name: H-D-Phg-OMe.HCl H-D-Phg-OMe.HCl

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CAS Numbers: 13226-98-7 , 15028-39-4 , 15028-40-7 , 19883-41-1 , 20698-91-3 , 24461-61-8 , 26682-99-5 , 5228-51-3 , N/A , [19883-41-1]

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) -0.71 2.97 -5.92 2 3 0 52 165.192 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 189 - 191 Enamine Building Blocks
MP 219 - 221 Enamine Building Blocks
MP 219...221 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Melting_Point ca 190? dec. Alfa-Aesar
Melting_Point ca 190° dec. Alfa-Aesar
Warnings IRRITANT Matrix Scientific

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

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