UCSF

ZINC86859986

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2013 12 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.95 2.63 -9.36 1 2 0 37 235.052 1
Hi High (pH 8-9.5) 0.95 3.05 -34.55 0 2 -1 40 234.044 1

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

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