UCSF

ZINC22593850

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 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) 0.38 6.48 -197.32 6 7 3 92 422.601 15
Hi High (pH 8-9.5) 0.38 5.07 -110.18 5 7 2 87 421.593 15

Activity (Go SEA)

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