UCSF

ZINC36853406

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 10 No

Other Names:

MFCD12099318

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) -0.98 -0.73 -48.84 3 4 1 63 143.166 2
Ref Reference (pH 7) -0.98 -0.73 -48.83 3 4 1 63 143.166 2
Hi High (pH 8-9.5) -0.98 -1.99 -8.92 2 4 0 58 142.158 2
Hi High (pH 8-9.5) -0.98 -1.97 -7.03 2 4 0 58 142.158 2
Mid Mid (pH 6-8) -0.80 -3.27 -43.51 2 4 0 69 142.158 2
Mid Mid (pH 6-8) -0.80 -3.28 -43.51 2 4 0 69 142.158 2

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% )