UCSF

ZINC25503976

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 22 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) 2.52 8.23 -28.7 1 5 1 47 300.382 5
Hi High (pH 8-9.5) 2.52 6.71 -10.45 0 5 0 46 299.374 5

Activity (Go SEA)

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