UCSF

ZINC22033926

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 37 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) 5.43 15.5 -14.66 0 6 0 54 487.607 5
Mid Mid (pH 6-8) 5.43 17.08 -47.74 1 6 1 55 488.615 5

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