UCSF

ZINC69738145

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 17 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) 0.36 6.56 -7.76 2 6 0 71 254.363 3
Lo Low (pH 4.5-6) 0.36 8.66 -37.21 3 6 1 72 255.371 3
Lo Low (pH 4.5-6) 0.36 6.89 -29.83 3 6 1 72 255.371 3
Lo Low (pH 4.5-6) 0.36 6.91 -31.34 3 6 1 72 255.371 3

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

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