UCSF

ZINC61439760

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 19 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) 4.39 6.66 -7.37 3 3 0 55 289.791 2
Lo Low (pH 4.5-6) 4.39 6.93 -26.02 4 3 1 56 290.799 2

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

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