UCSF

ZINC25144174

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 29 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) 6.10 13 -11.84 0 4 0 42 379.463 5
Lo Low (pH 4.5-6) 6.10 13.39 -31.56 1 4 1 43 380.471 5

Activity (Go SEA)

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