UCSF

ZINC26459821

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 11 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) 0.78 0.95 -9.33 2 3 0 52 145.165 0
Lo Low (pH 4.5-6) 0.78 1.4 -36.98 3 3 1 53 146.173 0

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

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