UCSF

ZINC06425207

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.41 -0.23 -13.63 2 7 0 101 342.38 5
Lo Low (pH 4.5-6) 2.41 0.25 -47.99 3 7 1 102 343.388 5

Activity (Go SEA)

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