UCSF

ZINC41513302

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.38 2.84 -11.43 1 6 0 80 303.314 3
Hi High (pH 8-9.5) 1.38 3.46 -34.98 0 6 -1 83 302.306 3
Lo Low (pH 4.5-6) 1.38 5.17 -41.83 2 6 1 81 304.322 3

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

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