UCSF

ZINC12324804

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2008 26 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) 2.87 -0.46 -15.97 0 6 0 75 357.454 5
Lo Low (pH 4.5-6) 2.87 0.1 -50.66 1 6 1 77 358.462 5

Activity (Go SEA)

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