UCSF

ZINC40549466

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 16 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) 3.11 4.33 -43.17 0 2 -1 36 248.352 1
Lo Low (pH 4.5-6) 2.65 6.35 -7.64 1 2 0 33 249.36 1

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

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