UCSF

ZINC20142167

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 15 Yes

Other Names:

MFCD11161451

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) 1.65 4.47 -35.03 2 3 1 26 215.361 7
Mid Mid (pH 6-8) 1.65 3.4 -39.94 2 3 1 29 215.361 7
Lo Low (pH 4.5-6) 1.65 5.76 -105.18 3 3 2 30 216.369 7

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% )