UCSF

ZINC39550342

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 27 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) 4.85 7.83 -9.34 0 4 0 43 356.425 5
Lo Low (pH 4.5-6) 4.85 8.72 -28.58 1 4 1 45 357.433 5
Lo Low (pH 4.5-6) 4.85 8.69 -28.87 1 4 1 45 357.433 5

Activity (Go SEA)

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