UCSF

ZINC37078858

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 14 No

Other Names:

MFCD11622983

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) 0.73 2.74 -6.87 3 4 0 62 193.25 3
Mid Mid (pH 6-8) 0.73 2.99 -23.22 4 4 0 63 194.258 3
Mid Mid (pH 6-8) 0.73 3.21 -24.1 4 4 0 63 194.258 3
Lo Low (pH 4.5-6) 0.73 2.48 -30.78 4 4 1 63 194.258 3
Lo Low (pH 4.5-6) 0.73 2.57 -28.39 4 4 1 63 194.258 3

Vendor Notes

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

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Rings

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