UCSF

ZINC34676557

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 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) 2.33 9.49 -46.05 2 5 1 49 276.408 2
Hi High (pH 8-9.5) 2.33 8.11 -6.75 1 5 0 44 275.4 2
Hi High (pH 8-9.5) 2.33 8.25 -23.74 2 5 1 46 276.408 2
Lo Low (pH 4.5-6) 2.33 9.62 -98.65 3 5 2 50 277.416 2

Activity (Go SEA)

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