UCSF

ZINC23634770

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2009 19 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) 3.61 8.38 -39.75 1 3 1 21 276.791 1
Mid Mid (pH 6-8) 3.61 8.64 -92.6 2 3 2 22 277.799 1
Mid Mid (pH 6-8) 3.61 5.92 -6.92 0 3 0 19 275.783 1
Mid Mid (pH 6-8) 3.61 6.17 -26.56 1 3 1 21 276.791 1

Activity (Go SEA)

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