UCSF

ZINC26145504

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 24 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) 2.79 5.9 -52.77 3 7 1 84 332.428 5
Mid Mid (pH 6-8) 2.79 5.91 -61.35 2 7 0 83 331.42 5

Activity (Go SEA)

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