UCSF

ZINC50055391

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 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) 2.68 8.09 -32.72 1 4 1 40 246.371 11
Mid Mid (pH 6-8) 2.68 6.51 -6.28 0 4 0 39 245.363 11

Activity (Go SEA)

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