UCSF

ZINC42461167

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 2.01 3.17 -2.82 2 3 0 38 234.343 2
Lo Low (pH 4.5-6) 2.01 4.7 -29.79 3 3 1 40 235.351 2

Activity (Go SEA)

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