UCSF

ZINC49533941

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2010 14 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) -0.07 0.9 -47.82 3 3 1 44 212.342 3
Lo Low (pH 4.5-6) -0.07 3.43 -105.29 4 3 2 45 213.35 3

Activity (Go SEA)

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

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