UCSF

ZINC82873292

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2013 13 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) -0.07 0.85 -43.93 4 4 0 88 181.191 3
Hi High (pH 8-9.5) -0.07 0.48 -49.08 3 4 -1 86 180.183 3

Activity (Go SEA)

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

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