UCSF

ZINC22045050

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 21 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) 2.60 9.87 -88.94 2 3 2 12 291.483 7
Hi High (pH 8-9.5) 2.60 7.33 -39.43 1 3 1 11 290.475 7

Activity (Go SEA)

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