UCSF

ZINC85224999

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2013 20 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) 2.08 7.1 -41.88 3 4 0 77 271.316 6
Hi High (pH 8-9.5) 2.08 6.63 -49.55 2 4 -1 75 270.308 6

Activity (Go SEA)

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

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