UCSF

ZINC19732676

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 11 Yes

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) -0.87 -0.55 -44.04 4 3 1 53 152.221 4
Mid Mid (pH 6-8) -0.87 0.43 -36.07 4 3 1 56 152.221 4
Lo Low (pH 4.5-6) -0.87 -0.29 -89.01 5 3 2 54 153.229 4

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% )