UCSF

ZINC41072675

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 17 No

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) -1.68 0.48 -63.35 1 8 -1 117 240.195 6
Hi High (pH 8-9.5) -1.49 -2.39 -111.97 0 8 -2 124 239.187 6

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

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