UCSF

ZINC51959520

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2010 23 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) 2.48 6.03 -43.22 2 4 1 37 339.887 5
Hi High (pH 8-9.5) 2.48 3.8 -5.01 1 4 0 36 338.879 5
Mid Mid (pH 6-8) 2.48 8.02 -105.89 3 4 2 38 340.895 5

Activity (Go SEA)

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