UCSF

ZINC20493539

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 24 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) 2.25 9.24 -46.9 2 4 1 46 324.448 5
Lo Low (pH 4.5-6) 2.25 9.68 -92.94 3 4 2 48 325.456 5

Activity (Go SEA)

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