UCSF

ZINC22241774

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2008 36 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) 4.92 17.85 -119.54 2 5 2 38 487.688 11
Hi High (pH 8-9.5) 4.92 15.33 -45.18 1 5 1 37 486.68 11

Activity (Go SEA)

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