UCSF

ZINC43253615

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.47 6.48 -33.38 3 3 1 40 319.922 9
Hi High (pH 8-9.5) 3.47 6.04 -44.5 3 3 1 40 319.922 9
Hi High (pH 8-9.5) 3.47 5.74 -1.95 2 3 0 38 318.914 9
Mid Mid (pH 6-8) 3.47 6.77 -115.9 4 3 2 41 320.93 9

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