UCSF

ZINC22711539

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 33 No

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) 2.82 4.62 -43.57 4 8 1 102 476.426 8
Hi High (pH 8-9.5) 2.82 3.84 -16.08 3 8 0 101 475.418 8

Activity (Go SEA)

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

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