UCSF

ZINC39301445

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 34 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) 5.50 15.54 -13.74 3 6 0 79 449.558 6
Lo Low (pH 4.5-6) 5.50 15.17 -40.98 4 6 1 80 450.566 6

Activity (Go SEA)

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