UCSF

ZINC41318794

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 24 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) 0.34 2.39 -52.52 2 7 1 74 355.484 6
Mid Mid (pH 6-8) 0.34 4.75 -95.39 3 7 2 75 356.492 6

Activity (Go SEA)

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