UCSF

ZINC05314652

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 36 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) 5.49 9.1 -11.99 2 7 0 89 483.568 7
Mid Mid (pH 6-8) 5.67 8.57 -12.34 2 7 0 89 483.568 7
Mid Mid (pH 6-8) 5.67 9.78 -17.55 2 7 0 89 483.568 7
Mid Mid (pH 6-8) 5.49 9.12 -11.87 2 7 0 89 483.568 7

Activity (Go SEA)

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