UCSF

ZINC40661167

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 30 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.77 8.63 -12.46 2 11 0 134 416.438 10
Mid Mid (pH 6-8) 2.77 10.9 -47.42 3 11 1 136 417.446 10

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.