UCSF

ZINC57744951

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2011 27 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) -0.43 2.77 -19.64 2 8 0 89 375.473 8
Mid Mid (pH 6-8) -0.43 5.09 -39.37 3 8 1 90 376.481 8

Activity (Go SEA)

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