UCSF

ZINC24116906

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2009 34 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) -3.73 3.14 -32.98 4 11 1 135 471.538 9
Mid Mid (pH 6-8) -3.73 5.48 -86.91 5 11 2 137 472.546 9

Activity (Go SEA)

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