UCSF

ZINC19435686

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 14 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) 0.50 3.06 -89.37 4 4 2 50 201.314 5
Hi High (pH 8-9.5) 0.50 1.58 -39.06 3 4 1 46 200.306 5
Hi High (pH 8-9.5) 0.50 0.73 -42.63 3 4 1 49 200.306 5

Activity (Go SEA)

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