UCSF

ZINC26576836

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2009 50 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) -2.57 6.41 -131.54 5 17 -2 257 698.73 7
Lo Low (pH 4.5-6) -2.57 4.21 -75.17 6 17 -1 255 699.738 7

Activity (Go SEA)

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