UCSF

ZINC19933405

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 31 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) 5.54 8.72 -44.46 1 5 -1 77 467.876 6
Mid Mid (pH 6-8) 5.54 8.63 -12.92 2 5 0 75 468.884 6

Activity (Go SEA)

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