UCSF

ZINC66136408

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 35 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) 5.55 11.43 -13.43 1 6 0 64 469.585 5
Mid Mid (pH 6-8) 5.55 11.5 -38.21 2 6 1 65 470.593 5

Activity (Go SEA)

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

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