UCSF

ZINC20167646

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 20 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) 2.55 7.94 -38.05 1 4 1 34 297.806 6
Mid Mid (pH 6-8) 2.55 8.11 -43.06 1 4 1 34 297.806 6
Mid Mid (pH 6-8) 2.55 5.73 -5.75 0 4 0 33 296.798 6

Activity (Go SEA)

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