UCSF

ZINC55060919

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 25 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) 2.69 6.56 -12.09 1 4 0 45 360.454 7
Lo Low (pH 4.5-6) 2.69 8.66 -33.56 2 4 1 47 361.462 7

Activity (Go SEA)

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

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