UCSF

ZINC59816345

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 28 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) -1.87 -6.08 -52.48 8 9 1 158 402.512 10
Hi High (pH 8-9.5) -1.87 -6.46 -10.98 7 9 0 156 401.504 10

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

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