UCSF

ZINC34977613

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 25 Yes

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) 2.68 5.32 -8.3 2 6 0 65 346.475 6
Mid Mid (pH 6-8) 2.68 7.48 -44.07 3 6 1 66 347.483 6

Activity (Go SEA)

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