UCSF

ZINC67965261

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 20 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) 1.01 5.26 -32.82 3 6 1 72 269.332 1
Hi High (pH 8-9.5) 1.01 4.8 -16.35 2 6 0 71 268.324 1
Mid Mid (pH 6-8) 1.01 5.94 -44.77 3 6 1 75 269.332 1

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

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