UCSF

ZINC25972179

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 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) -0.47 2.1 -25.25 3 6 0 83 215.216 1
Lo Low (pH 4.5-6) -0.47 2.54 -60.2 4 6 1 84 216.224 1

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

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