UCSF

ZINC22165177

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 19 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) 2.32 5.61 -120.95 4 3 2 41 278.318 6
Mid Mid (pH 6-8) 2.32 3.67 -41.85 3 3 1 40 277.31 6

Activity (Go SEA)

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