UCSF

ZINC66147117

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 14 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) 2.51 5.88 -116.35 4 2 2 33 198.354 3
Hi High (pH 8-9.5) 2.51 4.76 -33.5 3 2 1 29 197.346 3
Hi High (pH 8-9.5) 2.51 4.67 -32.5 3 2 1 29 197.346 3

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

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