UCSF

ZINC05131823

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 12 Yes

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) -3.50 -8.47 -15.12 5 6 0 118 180.156 5
Ref Reference (pH 7) -2.64 -8.62 -12.39 5 6 0 118 180.156 5
Hi High (pH 8-9.5) -3.50 -7.72 -55.98 4 6 -1 121 179.148 5

Vendor Notes

Note Type Comments Provided By
MP 109 TCI
MP 113 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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