UCSF

ZINC20074024

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 10 Yes

Other Names:

MFCD11155326

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) 0.86 3.97 -118.92 4 2 2 32 146.278 4
Hi High (pH 8-9.5) 0.86 1.85 -38.17 3 2 1 31 145.27 4
Mid Mid (pH 6-8) 0.86 3.66 -31.86 3 2 1 30 145.27 4

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% )