UCSF

ZINC25449499

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 25 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) 3.39 6.89 -19.05 2 6 0 84 352.419 5
Hi High (pH 8-9.5) 3.20 5.81 -45.39 1 6 -1 90 351.411 5

Activity (Go SEA)

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