UCSF

ZINC37113254

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 0.63 6.98 -38.63 3 3 1 48 249.378 6
Hi High (pH 8-9.5) 0.63 6.66 -6.24 2 3 0 46 248.37 6

Activity (Go SEA)

Rings

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