UCSF

ZINC37851765

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.44 2.44 -103.19 4 5 2 60 250.383 12
Mid Mid (pH 6-8) -0.44 -0.03 -42.63 3 5 1 59 249.375 12

Activity (Go SEA)

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