UCSF

ZINC42544241

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 12 Yes

Other Names:

MFCD14671498

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) 1.45 3.16 -34.5 2 2 1 20 169.292 3
Hi High (pH 8-9.5) 1.45 2.05 -0.82 1 2 0 15 168.284 3
Mid Mid (pH 6-8) 1.45 4.74 -32.75 2 2 1 16 169.292 3
Lo Low (pH 4.5-6) 1.45 5.76 -102.92 3 2 2 21 170.3 3

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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