UCSF

ZINC98177470

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2014 14 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) -1.66 4.83 -37.12 1 4 1 48 189.194 0
Hi High (pH 8-9.5) -1.66 5.92 -19.45 0 4 0 51 188.186 0

Activity (Go SEA)

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

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