UCSF

ZINC67975706

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 29 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) -0.11 1.67 -14.32 2 10 0 122 397.439 7
Lo Low (pH 4.5-6) -0.11 2.07 -44.15 3 10 1 123 398.447 7

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

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