UCSF

ZINC22150898

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 21 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) 0.96 6.97 -53.37 3 8 1 89 295.367 6
Hi High (pH 8-9.5) 0.96 4.66 -10.51 2 8 0 88 294.359 6

Activity (Go SEA)

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