UCSF

ZINC62605496

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 18 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) 1.34 4.45 -33.44 2 4 1 40 248.281 2
Hi High (pH 8-9.5) 1.34 4.02 -10.22 1 4 0 39 247.273 2
Lo Low (pH 4.5-6) 1.34 5.36 -54.92 2 4 1 44 248.281 2

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

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