UCSF

ZINC98091948

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2014 21 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) -0.06 4.58 -57.74 5 5 1 85 281.339 3
Hi High (pH 8-9.5) -0.06 4.25 -12.8 4 5 0 84 280.331 3

Activity (Go SEA)

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

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