UCSF

ZINC04927783

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 29 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) 4.01 7.87 -14.58 2 6 0 76 411.527 9
Mid Mid (pH 6-8) 4.01 8.29 -35.52 3 6 1 77 412.535 9

Activity (Go SEA)

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