UCSF

ZINC23626001

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2009 25 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) 2.03 4.82 -26.33 2 7 0 101 374.447 5
Hi High (pH 8-9.5) 2.09 3.98 -99.64 0 7 -2 109 372.431 5
Hi High (pH 8-9.5) 2.09 3.92 -51.62 1 7 -1 107 373.439 5
Mid Mid (pH 6-8) 2.03 4.88 -53.77 1 7 -1 103 373.439 5

Activity (Go SEA)

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