UCSF

ZINC54473109

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 15 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) 2.43 3.21 -50.09 4 3 1 57 213.345 4
Mid Mid (pH 6-8) 2.43 2.94 -5.09 3 3 0 55 212.337 4

Activity (Go SEA)

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