UCSF

ZINC66123022

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 41 No

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) 1.72 2.5 -51.54 6 12 1 184 572.587 6
Hi High (pH 8-9.5) 1.72 -0.01 -24.54 5 12 0 183 571.579 6

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

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