UCSF

ZINC33445081

Substance Information

In ZINC since Heavy atoms Benign functionality
July 9th, 2009 24 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) 4.74 10.08 -10.73 1 4 0 45 449.317 4
Hi High (pH 8-9.5) 4.81 9.18 -43 0 4 -1 52 448.309 4

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

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