UCSF

ZINC57671485

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2011 16 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) 3.52 8.06 -15.72 2 2 0 16 219.352 6
Hi High (pH 8-9.5) 3.52 7.97 -2.57 1 2 0 15 218.344 6

Activity (Go SEA)

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