UCSF

ZINC36612584

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 25 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) 4.40 11.44 -47.79 0 5 -1 57 352.439 6
Mid Mid (pH 6-8) 3.67 11.37 -13.37 1 5 0 60 353.447 6

Activity (Go SEA)

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