UCSF

ZINC39328195

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 29 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) 2.80 8.76 -49.37 3 6 -1 108 402.455 5
Lo Low (pH 4.5-6) 2.80 9.09 -51.61 4 6 0 109 403.463 5

Activity (Go SEA)

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