UCSF

ZINC22214783

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 20 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) 1.23 4.41 -124.52 4 5 2 60 284.4 7
Mid Mid (pH 6-8) 1.23 2.78 -48.97 3 5 1 59 283.392 7

Activity (Go SEA)

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