UCSF

ZINC22622109

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 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) 2.70 6.38 -13.55 1 3 0 42 323.165 3
Lo Low (pH 4.5-6) 2.70 6.82 -51.48 2 3 1 43 324.173 3

Activity (Go SEA)

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