UCSF

ZINC49539731

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 32 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) -0.71 8.99 -33.46 3 9 1 110 457.58 7
Mid Mid (pH 6-8) 1.34 8.97 -15.79 2 9 0 109 456.572 7

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

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