UCSF

ZINC36870205

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 15 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) 0.01 -1.47 -13.76 1 4 0 49 250.389 3
Mid Mid (pH 6-8) 0.01 -0.23 -54.05 2 4 1 54 251.397 3
Lo Low (pH 4.5-6) 0.01 0.69 -60.83 2 4 1 51 251.397 3

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

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