UCSF

ZINC19471382

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 15 No

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) 1.66 4.28 -48.47 3 3 1 46 223.321 2
Mid Mid (pH 6-8) 1.66 2.91 -10.14 2 3 0 41 222.313 2

Vendor Notes

Note Type Comments Provided By
MP 215 - 217 Enamine Building Blocks
MP 215...217 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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