UCSF

ZINC22039439

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 28 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) -4.64 -1.22 -203 7 10 1 150 403.548 10
Mid Mid (pH 6-8) -4.64 0.45 -237.13 8 10 2 151 404.556 10

Activity (Go SEA)

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