UCSF

ZINC69699023

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 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) 3.56 7.77 -12.96 1 4 0 42 346.377 4
Lo Low (pH 4.5-6) 3.56 8.43 -47.19 2 4 1 43 347.385 4

Activity (Go SEA)

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

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