UCSF

ZINC71771350

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2011 20 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) 3.10 10.39 -92.88 0 4 -2 80 276.332 6
Lo Low (pH 4.5-6) 3.10 8.41 -47.85 1 4 -1 77 277.34 6
Lo Low (pH 4.5-6) 3.10 6.43 -8.67 2 4 0 75 278.348 6

Activity (Go SEA)

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