UCSF

ZINC45662309

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) 2.40 4.79 -3.22 2 3 0 38 248.37 2
Mid Mid (pH 6-8) 2.40 6.42 -31.52 3 3 1 40 249.378 2

Activity (Go SEA)

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