UCSF

ZINC19933562

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) 0.72 3.77 -94.87 4 4 2 45 251.374 6
Mid Mid (pH 6-8) 0.72 1.39 -45.87 3 4 1 43 250.366 6

Activity (Go SEA)

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