UCSF

ZINC14011261

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 19 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) 1.29 0.39 -12.66 3 6 0 95 282.683 3
Ref Reference (pH 7) 1.29 0.91 -10.51 3 6 0 95 282.683 3
Hi High (pH 8-9.5) 1.75 -0.57 -103.25 1 6 -2 101 280.667 3
Hi High (pH 8-9.5) 1.75 -0.99 -92.01 1 6 -2 101 280.667 3
Mid Mid (pH 6-8) 1.75 -1.92 -42.98 2 6 -1 98 281.675 3
Mid Mid (pH 6-8) 1.75 -2.21 -43.82 2 6 -1 98 281.675 3

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

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