UCSF

ZINC61326894

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 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) 0.92 4.95 -45.08 4 3 1 56 248.375 3
Hi High (pH 8-9.5) 0.92 4.63 -9.15 3 3 0 55 247.367 3
Mid Mid (pH 6-8) 0.92 5.23 -27.96 4 3 1 56 248.375 3
Mid Mid (pH 6-8) 0.92 5.54 -115.18 5 3 2 58 249.383 3

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

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