UCSF

ZINC41116900

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 23 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) 2.73 5.52 -43.37 0 5 -1 69 351.835 4
Mid Mid (pH 6-8) 2.73 5.38 -13.63 1 5 0 66 352.843 4

Activity (Go SEA)

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