UCSF

ZINC25453544

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 27 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) 4.37 7.91 -40.44 0 6 -1 79 425.918 4
Mid Mid (pH 6-8) 4.37 7.84 -17.56 1 6 0 77 426.926 4

Activity (Go SEA)

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