UCSF

ZINC22166003

Substance Information

In ZINC since Heavy atoms Benign functionality
December 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) 2.78 7.56 -124.22 4 2 2 32 317.246 3
Mid Mid (pH 6-8) 2.78 5.71 -46.25 3 2 1 31 316.238 3
Mid Mid (pH 6-8) 2.78 7.32 -28.88 3 2 1 30 316.238 3

Activity (Go SEA)

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