UCSF

ZINC39312696

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 20 No

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) 1.97 5.35 -13.85 0 4 0 46 289.404 2
Lo Low (pH 4.5-6) 1.97 7.86 -34.68 1 4 1 47 290.412 2

Activity (Go SEA)

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