UCSF

ZINC39423065

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2010 11 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) 0.97 0.2 -40.43 3 4 -1 78 148.145 0
Mid Mid (pH 6-8) 0.51 1.29 -18.68 4 4 0 75 149.153 0

Activity (Go SEA)

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

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