UCSF

ZINC62567496

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 14 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) -0.02 3.14 -12.5 3 4 0 51 191.258 2
Hi High (pH 8-9.5) -0.02 3.43 -7.11 2 4 0 49 190.25 2
Lo Low (pH 4.5-6) -0.02 3.51 -20.2 4 4 0 52 192.266 2

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

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