UCSF

ZINC38342450

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2010 22 Yes

Other Names:

MFCD13196236

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) 1.62 7.51 -16.19 2 6 0 84 301.346 8
Ref Reference (pH 7) 1.62 7.99 -48.68 3 6 1 85 302.354 8
Mid Mid (pH 6-8) 1.62 7.97 -48.84 3 6 1 85 302.354 8
Mid Mid (pH 6-8) 1.62 7.47 -16.2 2 6 0 84 301.346 8

Vendor Notes

Note Type Comments Provided By
MP 152 - 154 Enamine Building Blocks
MP 152...154 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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Analogs ( Draw Identity 99% 90% 80% 70% )