UCSF

ZINC98088000

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2014 13 No

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) -3.58 3 -119.74 1 6 -2 109 187.151 5
Lo Low (pH 4.5-6) -3.58 1.03 -47.83 2 6 -1 107 188.159 5

Activity (Go SEA)

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

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