UCSF

ZINC20249445

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 28 No

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) 1.91 8.01 -18.69 1 6 0 50 400.548 10
Lo Low (pH 4.5-6) 1.91 10.78 -105.39 3 6 2 52 402.564 10

Activity (Go SEA)

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