UCSF

ZINC21742224

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 29 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) 2.89 5.94 -30.38 3 8 0 113 413.455 8
Hi High (pH 8-9.5) 2.40 5.04 -72.42 2 8 -1 119 412.447 8

Activity (Go SEA)

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