UCSF

ZINC54822371

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 18 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) 1.07 5.17 -35.63 3 5 1 60 248.354 4
Mid Mid (pH 6-8) 1.07 4.75 -10.53 2 5 0 59 247.346 4
Lo Low (pH 4.5-6) 1.07 5.3 -74.01 4 5 2 61 249.362 4

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

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