UCSF

ZINC69944682

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 16 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) 1.96 4.49 -29.26 2 3 1 26 227.372 2
Hi High (pH 8-9.5) 1.96 3.05 -0.82 1 3 0 24 226.364 2
Lo Low (pH 4.5-6) 1.96 5.45 -104.06 3 3 2 30 228.38 2

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

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