UCSF

ZINC22211049

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 19 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) 2.02 5.27 -41.96 4 4 1 60 282.795 4
Hi High (pH 8-9.5) 2.02 2.91 -8.92 3 4 0 58 281.787 4

Activity (Go SEA)

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