UCSF

ZINC45662312

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 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) 2.37 4.69 -3.16 2 3 0 38 248.37 2
Lo Low (pH 4.5-6) 2.37 6.43 -31.72 3 3 1 40 249.378 2

Activity (Go SEA)

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