UCSF

ZINC66862916

Substance Information

In ZINC since Heavy atoms Benign functionality
September 2nd, 2011 27 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) 3.37 9.27 -9.85 0 5 0 36 387.911 6
Lo Low (pH 4.5-6) 3.37 11.44 -37.81 1 5 1 37 388.919 6

Activity (Go SEA)

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

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