UCSF

ZINC00208945

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 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) 3.04 2.85 -6.25 1 3 0 34 224.691 1
Lo Low (pH 4.5-6) 3.04 4.02 -29.39 2 3 1 35 225.699 2

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

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