UCSF

ZINC58540777

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 38 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) 5.33 5.8 -44.23 5 9 0 139 524.434 5
Hi High (pH 8-9.5) 5.33 5.34 -58.08 4 9 -1 138 523.426 5

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

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