UCSF

ZINC54171730

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 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) 1.86 7.87 -40.22 1 4 1 34 277.388 6
Mid Mid (pH 6-8) 1.86 7.98 -41.38 1 4 1 34 277.388 6
Mid Mid (pH 6-8) 1.86 5.7 -5.98 0 4 0 33 276.38 6

Activity (Go SEA)

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