UCSF

ZINC26507957

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 17 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) 0.45 6 -68.89 0 5 -1 71 232.215 2
Mid Mid (pH 6-8) 0.45 4.91 -43.92 1 5 0 75 233.223 2

Activity (Go SEA)

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