UCSF

ZINC22681149

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 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) 3.22 11.71 -43.8 2 5 1 54 412.579 5
Mid Mid (pH 6-8) 3.22 9.68 -13.09 1 5 0 53 411.571 5

Activity (Go SEA)

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