UCSF

ZINC12222790

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 28 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) 3.25 0.39 -11.16 0 5 0 51 376.504 4
Lo Low (pH 4.5-6) 3.25 0.46 -42.67 1 5 1 52 377.512 4
Lo Low (pH 4.5-6) 3.25 0.52 -37.67 1 5 1 52 377.512 4
Lo Low (pH 4.5-6) 3.25 0.59 -84.14 2 5 2 54 378.52 4

Activity (Go SEA)

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