UCSF

ZINC55152788

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 27 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) 3.04 9.36 -34.03 3 6 1 77 371.505 6
Hi High (pH 8-9.5) 3.04 8.75 -15.28 2 6 0 76 370.497 6

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

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