UCSF

ZINC25465311

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 30 No

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) 1.92 6.59 -23.4 3 8 0 117 460.562 7
Hi High (pH 8-9.5) 2.38 5.47 -52.51 2 8 -1 120 459.554 7

Activity (Go SEA)

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