UCSF

ZINC55352878

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 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) 1.94 6.14 -110.06 4 3 2 41 270.804 6
Mid Mid (pH 6-8) 1.94 3.61 -44.95 3 3 1 40 269.796 6
Mid Mid (pH 6-8) 1.94 6.64 -44.74 3 3 1 44 269.796 6

Activity (Go SEA)

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