UCSF

ZINC05781868

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 22 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) 1.44 4.63 -40.88 1 7 -1 109 324.382 7
Hi High (pH 8-9.5) 1.59 4.37 -34.46 1 7 -1 115 324.382 7
Mid Mid (pH 6-8) 1.40 5.35 -13.57 2 7 0 108 325.39 7

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