UCSF

ZINC35017610

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 32 No

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) 1.01 2.65 -13.81 2 9 0 109 438.463 5
Mid Mid (pH 6-8) 1.01 3.47 -54.86 1 9 -1 112 437.455 5
Lo Low (pH 4.5-6) 1.01 4.53 -25.46 3 9 0 110 439.471 5
Lo Low (pH 4.5-6) 1.01 6.63 -60.35 4 9 0 112 440.479 5

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

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