UCSF

ZINC25449272

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 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) 4.75 10.76 -57.27 3 5 1 71 415.513 6
Hi High (pH 8-9.5) 4.75 11.56 -81.58 2 5 0 74 414.505 6
Hi High (pH 8-9.5) 4.75 8.54 -21.26 2 5 0 70 414.505 6
Hi High (pH 8-9.5) 4.75 9.33 -54.88 1 5 -1 72 413.497 6

Activity (Go SEA)

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