UCSF

ZINC37872117

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 17 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) 1.90 4.37 -6.25 2 2 0 32 225.291 4
Mid Mid (pH 6-8) 1.90 5.76 -44.26 3 2 1 37 226.299 4

Activity (Go SEA)

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