UCSF

ZINC09714252

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 31 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) 3.91 -6.91 -14.91 2 8 0 110 462.549 8
Hi High (pH 8-9.5) 3.91 -6.36 -47.18 1 8 -1 112 461.541 8
Hi High (pH 8-9.5) 3.91 -6.33 -47.14 1 8 -1 112 461.541 8
Hi High (pH 8-9.5) 3.91 -5.78 -103.79 0 8 -2 114 460.533 8

Activity (Go SEA)

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