UCSF

ZINC52213819

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 14 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) 1.85 6.66 -97.79 3 2 2 21 198.354 1
Hi High (pH 8-9.5) 1.85 5.32 -31.21 2 2 1 20 197.346 1
Hi High (pH 8-9.5) 1.85 5.46 -28.99 2 2 1 16 197.346 1

Activity (Go SEA)

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