UCSF

ZINC67755258

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2011 24 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) 1.53 6.4 -51.52 4 6 1 85 323.424 5
Lo Low (pH 4.5-6) 1.53 7.13 -94.31 5 6 2 87 324.432 5

Activity (Go SEA)

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

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