UCSF

ZINC32576744

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2009 17 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) 1.04 5.61 -12.94 1 5 0 56 249.343 5
Lo Low (pH 4.5-6) 1.04 6.22 -81.97 3 5 2 58 251.359 5
Lo Low (pH 4.5-6) 1.04 5.77 -34.07 2 5 1 57 250.351 5
Lo Low (pH 4.5-6) 1.04 6.06 -38.54 2 5 1 57 250.351 5

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

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