UCSF

ZINC25446248

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 36 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) 3.87 6.84 -15.33 1 8 0 86 493.604 11
Lo Low (pH 4.5-6) 3.87 8.79 -52.54 2 8 1 87 494.612 11

Activity (Go SEA)

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