UCSF

ZINC36156522

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 13 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) 0.77 0.8 -54.25 4 2 1 48 188.197 2
Hi High (pH 8-9.5) 0.77 0.33 -5.85 3 2 0 46 187.189 2

Activity (Go SEA)

Rings

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