UCSF

ZINC45692238

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 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) 4.35 9.05 -37.41 2 2 1 20 295.878 7
Mid Mid (pH 6-8) 4.35 11.06 -119.61 3 2 2 21 296.886 7
Mid Mid (pH 6-8) 4.34 9.86 -35.92 2 2 1 16 295.878 7

Activity (Go SEA)

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