UCSF

ZINC56898772

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2011 47 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) 2.57 16.73 -46.11 0 8 1 59 637.797 4
Mid Mid (pH 6-8) 2.57 19.92 -90.1 1 8 2 60 638.805 4

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Rings

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

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