UCSF

ZINC59514565

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2011 19 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) 5.12 3.65 -9.36 1 4 0 62 295.125 3
Hi High (pH 8-9.5) 5.12 7.24 -44.41 0 4 -1 65 294.117 3
Hi High (pH 8-9.5) 5.12 6.01 -40.05 0 4 -1 65 294.117 3

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

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