UCSF

ZINC33121245

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2009 34 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) 2.55 5.54 -55.06 3 8 1 96 487.646 6
Hi High (pH 8-9.5) 2.55 4.12 -14.8 2 8 0 91 486.638 6
Hi High (pH 8-9.5) 2.55 5.62 -72.01 2 8 0 98 486.638 6

Activity (Go SEA)

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