UCSF

ZINC53663824

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 17 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) 1.97 6.54 -86.1 3 4 2 47 232.331 4
Hi High (pH 8-9.5) 1.97 4.95 -11.05 1 4 0 41 230.315 4
Mid Mid (pH 6-8) 1.97 6.4 -41.94 2 4 1 46 231.323 4
Mid Mid (pH 6-8) 1.97 6.52 -81.66 3 4 2 47 232.331 4

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

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