UCSF

ZINC15937428

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 33 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) 4.54 12.61 -9.37 1 6 0 63 461.484 10
Lo Low (pH 4.5-6) 4.54 12.3 -38.33 2 6 1 65 462.492 9
Lo Low (pH 4.5-6) 4.54 13.42 -34.89 2 6 1 65 462.492 10

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

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