UCSF

ZINC36329421

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 33 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) 4.12 8.73 -77.9 2 7 0 91 488.009 9
Hi High (pH 8-9.5) 4.12 6.07 -53.08 1 7 -1 90 487.001 9
Mid Mid (pH 6-8) 4.12 8.64 -52.82 3 7 1 89 489.017 9

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

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