UCSF

ZINC45352293

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 16 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) -3.50 3.92 -176.94 1 8 -3 149 230.152 7
Lo Low (pH 4.5-6) -3.50 -0.08 -51.93 3 8 -1 144 232.168 7
Lo Low (pH 4.5-6) -3.50 1.9 -105.44 2 8 -2 147 231.16 7

Activity (Go SEA)

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