UCSF

ZINC86860340

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2013 21 Yes

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) 2.41 6.32 -40.08 4 3 1 46 282.411 4
Hi High (pH 8-9.5) 2.41 4.97 -3.84 3 3 0 41 281.403 4

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

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