UCSF

ZINC39550443

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 25 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) 4.91 6.44 -7.46 1 3 0 45 330.362 3
Lo Low (pH 4.5-6) 4.91 7.3 -30.84 2 3 1 47 331.37 3
Lo Low (pH 4.5-6) 4.91 7.47 -30.9 2 3 1 47 331.37 3

Activity (Go SEA)

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