UCSF

ZINC22038591

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 21 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) 0.25 -0.38 -42.84 3 6 1 67 295.359 5
Mid Mid (pH 6-8) 0.25 -2.69 -9.82 2 6 0 65 294.351 5

Activity (Go SEA)

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