UCSF

ZINC20225400

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 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) 1.61 5.91 -122.53 4 2 2 32 194.322 5
Mid Mid (pH 6-8) 1.61 3.92 -45.93 3 2 1 31 193.314 5

Activity (Go SEA)

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