UCSF

ZINC21951778

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 16 Yes

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) 1.39 4.13 -9.23 1 3 0 32 238.718 2
Mid Mid (pH 6-8) 1.39 5.5 -52.24 2 3 1 37 239.726 2

Vendor Notes

Note Type Comments Provided By
MP 249 - 251 Enamine Building Blocks
MP 249...251 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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