UCSF

ZINC36908254

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 15 Yes

Other Names:

MFCD12113890

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) 1.58 4.78 -30.9 2 3 1 26 215.361 5
Mid Mid (pH 6-8) 1.58 3.33 -36.53 2 3 1 29 215.361 5
Mid Mid (pH 6-8) 1.58 5.66 -102.35 3 3 2 30 216.369 5

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% )