UCSF

ZINC36222253

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 17 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) 2.05 6.4 -8.9 2 4 0 56 289.136 1
Lo Low (pH 4.5-6) 2.05 6.87 -37.78 3 4 1 57 290.144 1

Activity (Go SEA)

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