UCSF

ZINC40232402

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 6.03 14.07 -11.6 0 5 0 46 448.95 10
Lo Low (pH 4.5-6) 6.03 14.72 -33.89 1 5 1 47 449.958 10

Activity (Go SEA)

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

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