UCSF

ZINC05014841

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2006 22 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) 3.65 10.42 -8.95 0 2 0 26 287.362 1
Lo Low (pH 4.5-6) 3.65 10.67 -24.42 1 2 1 27 288.37 1

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

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