UCSF

ZINC40852509

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 18 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) 2.62 5.41 -43.25 4 3 1 57 269.796 4
Mid Mid (pH 6-8) 2.62 5.08 -6.82 3 3 0 55 268.788 4

Activity (Go SEA)

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