UCSF

ZINC56871379

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 24 No

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) 3.76 6.19 -9.1 1 4 0 45 322.408 2
Mid Mid (pH 6-8) 3.76 8.49 -48.39 2 4 1 47 323.416 2

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

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