UCSF

ZINC37873636

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 19 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) 0.46 0.46 -9.91 2 6 0 77 269.297 8
Mid Mid (pH 6-8) 0.46 1.87 -43.52 3 6 1 82 270.305 8

Activity (Go SEA)

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