UCSF

ZINC06858712

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2006 17 Yes

Other Names:

MFCD06293053

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) 1.75 2.77 -11.56 1 5 0 72 269.713 3
Hi High (pH 8-9.5) 1.75 2.82 -37.96 0 5 -1 74 268.705 3
Lo Low (pH 4.5-6) 1.75 2.93 -36.9 2 5 1 73 270.721 3

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% )