UCSF

ZINC22761791

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 31 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) 3.27 10.37 -20.43 1 8 0 99 476.345 4
Hi High (pH 8-9.5) 3.34 9.46 -40.85 0 8 -1 105 475.337 4

Activity (Go SEA)

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

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