UCSF

ZINC20268037

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 12 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) 0.98 1.05 -40.92 4 2 1 48 186.662 3
Hi High (pH 8-9.5) 0.98 0.74 -5.77 3 2 0 46 185.654 3

Activity (Go SEA)

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