UCSF

ZINC22063181

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 30 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) 5.43 13.45 -35.27 2 3 1 34 402.558 10
Hi High (pH 8-9.5) 5.43 10.89 -8.39 1 3 0 33 401.55 10

Activity (Go SEA)

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