UCSF

ZINC22076109

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.75 0.41 -52.82 4 5 1 67 289.783 9
Mid Mid (pH 6-8) 0.75 1.91 -129.85 5 5 2 72 290.791 9
Lo Low (pH 4.5-6) 0.75 0.47 -43.91 4 5 1 67 289.783 9

Activity (Go SEA)

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