UCSF

ZINC20268082

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 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) -0.31 -2.17 -49.37 5 4 1 77 198.242 4
Hi High (pH 8-9.5) -0.31 -2.48 -11.68 4 4 0 76 197.234 4

Activity (Go SEA)

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