UCSF

ZINC22038195

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 18 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) -1.32 -1.67 -15.3 2 6 0 83 254.334 8
Mid Mid (pH 6-8) -1.32 0.56 -62.11 3 6 1 84 255.342 8
Mid Mid (pH 6-8) -1.32 0.71 -53.02 3 6 1 84 255.342 8

Activity (Go SEA)

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