UCSF

ZINC52541339

Substance Information

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

Download: MOL2 SDF SMILES Flexibase

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) 3.94 10.12 -105.61 3 2 2 21 282.447 7
Hi High (pH 8-9.5) 3.94 9.68 -29.38 2 2 1 16 281.439 7
Mid Mid (pH 6-8) 3.94 7.64 -35.77 2 2 1 20 281.439 7

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Rings

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