UCSF

ZINC73434726

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2012 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.74 1.63 -7.74 0 5 0 44 249.38 5
Mid Mid (pH 6-8) 0.74 3.85 -42.15 1 5 1 45 250.388 5

Activity (Go SEA)

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