UCSF

ZINC40447661

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 35 No

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) 4.23 10.19 -45.44 0 6 -1 103 507.485 7
Mid Mid (pH 6-8) 4.98 10.98 -19.57 1 6 0 96 508.493 8

Activity (Go SEA)

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

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