UCSF

ZINC42592730

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 14 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) 1.39 3.44 -40.71 4 3 1 57 201.334 5
Hi High (pH 8-9.5) 1.39 3.1 -4.76 3 3 0 55 200.326 5

Activity (Go SEA)

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