UCSF

ZINC42449788

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 No

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) 1.61 2.54 -40.02 1 5 1 67 195.246 5
Hi High (pH 8-9.5) 1.61 0.19 -3.77 0 5 0 66 194.238 5

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Rings

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