UCSF

ZINC37337249

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 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) 3.12 9.69 -40.01 1 3 1 31 250.362 7
Hi High (pH 8-9.5) 3.12 7.72 -9.25 0 3 0 30 249.354 7

Activity (Go SEA)

Rings

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