UCSF

ZINC23439065

Substance Information

In ZINC since Heavy atoms Benign functionality
January 1st, 2009 28 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) 5.94 13.33 -9.08 0 3 0 29 375.422 5
Lo Low (pH 4.5-6) 5.94 13.65 -32.31 1 3 1 30 376.43 5

Activity (Go SEA)

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