UCSF

ZINC36192281

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) -0.10 5.05 -82.15 5 5 2 72 249.362 3
Mid Mid (pH 6-8) -0.10 6.07 -33.57 4 5 1 70 248.354 3

Activity (Go SEA)

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