UCSF

ZINC43051850

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 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) 1.52 2.3 -41.01 4 3 1 51 269.796 4
Mid Mid (pH 6-8) 1.52 3.47 -117.84 5 3 2 52 270.804 4

Activity (Go SEA)

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