UCSF

ZINC19505053

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 17 Yes

Other Names:

MFCD14705681

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) -0.25 3.9 -173.02 6 5 3 73 236.343 3
Hi High (pH 8-9.5) -0.25 1.63 -37.59 4 5 1 70 234.327 3
Mid Mid (pH 6-8) -0.25 3.6 -85.46 5 5 2 72 235.335 3
Mid Mid (pH 6-8) -0.25 1.59 -96.65 5 5 2 72 235.335 3

Vendor Notes

Note Type Comments Provided By
MP 294 - 296 Enamine Building Blocks
MP 294...296 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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