UCSF

ZINC41071763

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 21 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) -2.93 0.71 -71.89 5 8 0 135 293.279 5
Hi High (pH 8-9.5) -2.33 -0.3 -101.28 5 8 -1 149 292.271 5
Hi High (pH 8-9.5) -2.93 0.31 -53.25 4 8 -1 134 292.271 5

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

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