UCSF

ZINC33024193

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2009 33 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) 1.77 5.74 -19.33 2 9 0 104 462.591 9
Mid Mid (pH 6-8) 1.77 8.08 -55.09 3 9 1 105 463.599 9

Activity (Go SEA)

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