UCSF

ZINC62080890

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 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) 1.14 4.52 -8.73 1 4 0 45 269.348 5
Lo Low (pH 4.5-6) 1.14 4.97 -41.81 2 4 1 46 270.356 5
Lo Low (pH 4.5-6) 1.14 7.22 -85.35 3 4 2 48 271.364 5
Lo Low (pH 4.5-6) 1.14 6.76 -37.73 2 4 1 46 270.356 5

Activity (Go SEA)

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