UCSF

ZINC22171724

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 21 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) 2.23 6.2 -119.61 4 4 2 51 294.439 7
Mid Mid (pH 6-8) 2.23 4.06 -43.23 3 4 1 49 293.431 7

Activity (Go SEA)

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