UCSF

ZINC20562047

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 18 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) 5.28 7.15 -40.87 3 2 1 37 270.824 8
Hi High (pH 8-9.5) 5.28 7.93 -29.94 2 2 0 40 269.816 8

Activity (Go SEA)

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