UCSF

ZINC22210757

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 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) 1.60 5.16 -36.64 4 4 1 60 250.366 4
Hi High (pH 8-9.5) 1.60 2.98 -10.82 3 4 0 58 249.358 4

Activity (Go SEA)

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