UCSF

ZINC44515333

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 18 Yes

Other Names:

MFCD16524196

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) 1.99 7.67 -74.58 3 3 2 21 255.45 4
Mid Mid (pH 6-8) 1.99 6.64 -96.43 3 3 2 24 255.45 4
Lo Low (pH 4.5-6) 1.99 8.84 -173.89 4 3 3 25 256.458 4

Vendor Notes

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

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