UCSF

ZINC39899283

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.67 9.63 -10.38 2 6 0 78 494.806 7
Mid Mid (pH 6-8) 5.67 9.77 -12.57 2 6 0 78 494.806 7

Activity (Go SEA)

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