UCSF

ZINC36876502

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 Yes

Other Names:

MFCD12105876

MFCD18838786

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) 1.51 6.26 -45.24 3 3 1 45 228.319 2
Mid Mid (pH 6-8) 1.51 6.67 -101.73 4 3 2 47 229.327 2

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks
MP 93 - 95 Enamine Building Blocks
MP 93...95 Enamine Building Blocks
purity 95 Enamine Building Blocks

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