UCSF

ZINC45658700

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.91 5.87 -97.08 4 3 2 35 227.396 5
Hi High (pH 8-9.5) 0.91 3.71 -31.34 3 3 1 34 226.388 5
Hi High (pH 8-9.5) 0.91 2.66 -42.3 3 3 1 34 226.388 5
Mid Mid (pH 6-8) 0.91 4.17 -28.4 3 3 1 34 226.388 5
Mid Mid (pH 6-8) 0.91 4.52 -119.29 4 3 2 35 227.396 5
Lo Low (pH 4.5-6) 0.91 6.33 -222.07 5 3 3 37 228.404 5
Lo Low (pH 4.5-6) 0.91 4.62 -103.8 4 3 2 35 227.396 5

Activity (Go SEA)

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