UCSF

ZINC08981111

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 4.07 -2.69 -17.35 2 8 0 110 448.541 11
Hi High (pH 8-9.5) 4.07 -2.11 -53.68 1 8 -1 112 447.533 11

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

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