UCSF

ZINC70302376

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2011 20 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) -0.39 -0.41 -39.49 1 11 -1 158 298.264 5
Hi High (pH 8-9.5) -0.39 -0.6 -92.65 0 11 -2 160 297.256 5
Lo Low (pH 4.5-6) -0.39 -0.17 -22.21 2 11 0 159 299.272 5

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

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