UCSF

ZINC49328863

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 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) 0.85 9.05 -166.06 4 4 3 40 239.387 6
Hi High (pH 8-9.5) 0.85 7.1 -44.97 2 4 1 34 237.371 6
Mid Mid (pH 6-8) 0.85 8.54 -110.09 3 4 2 39 238.379 6

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

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