UCSF

ZINC22220730

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 17 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) 2.51 5.94 -51.13 1 4 -1 69 240.323 7
Lo Low (pH 4.5-6) 2.51 4.82 -13.84 2 4 0 66 241.331 7

Activity (Go SEA)

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