UCSF

ZINC39271548

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 13 Yes

Other Names:

MFCD20679053

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) 4.03 5.97 -2.59 1 1 0 12 175.275 0
Lo Low (pH 4.5-6) 4.03 6.46 -31.88 2 1 1 17 176.283 0

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% )