UCSF

ZINC37876281

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 20 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) 1.37 0.32 -10.05 2 4 0 45 290.285 5
Mid Mid (pH 6-8) 1.37 2.63 -49.63 3 4 1 46 291.293 5

Activity (Go SEA)

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