UCSF

ZINC22755326

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 28 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) 2.75 7.39 -11.42 1 7 0 69 394.512 10
Mid Mid (pH 6-8) 2.75 7.82 -47.67 2 7 1 70 395.52 10

Activity (Go SEA)

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