UCSF

ZINC56871245

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 35 Yes

Download: MOL2 SDF SMILES Flexibase

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) -5.59 -15.37 -79.78 12 18 0 314 507.409 11
Mid Mid (pH 6-8) -5.59 -15.91 -69.97 11 18 -1 313 506.401 11

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

No pre-computed analogs available. Try a structural similarity search.