UCSF

ZINC19937109

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 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) -0.46 3.22 -6.99 0 5 0 49 248.33 2
Mid Mid (pH 6-8) -0.46 5.42 -44.13 1 5 1 51 249.338 2

Activity (Go SEA)

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