UCSF

ZINC39321264

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 15 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) -0.27 5.39 -30.01 1 4 0 48 212.293 3
Mid Mid (pH 6-8) -0.27 5.31 -58.99 1 4 0 48 212.293 3
Lo Low (pH 4.5-6) -0.27 3.34 -38.58 2 4 1 45 213.301 3
Lo Low (pH 4.5-6) -0.27 7.57 -83.82 2 4 1 49 213.301 3

Activity (Go SEA)

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