UCSF

ZINC22793245

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 26 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) 2.87 6.96 -36.96 2 6 1 55 364.51 10
Hi High (pH 8-9.5) 2.87 4.74 -12.82 1 6 0 54 363.502 10

Activity (Go SEA)

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