UCSF

ZINC20573391

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 20 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) 4.37 9.58 -35.27 1 2 1 8 295.878 5
Hi High (pH 8-9.5) 4.37 7.12 -2.48 0 2 0 6 294.87 5
Mid Mid (pH 6-8) 4.37 9.45 -37.66 1 2 1 8 295.878 5

Activity (Go SEA)

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