UCSF

ZINC19885231

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 18 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) 2.96 8.36 -44.44 2 3 1 43 248.346 5
Mid Mid (pH 6-8) 2.96 7.09 -5.97 1 3 0 38 247.338 5

Activity (Go SEA)

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