UCSF

ZINC57860327

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2011 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) 2.06 4.38 -32.89 2 3 1 28 249.378 5
Mid Mid (pH 6-8) 2.06 4.8 -32.67 2 3 1 28 249.378 5
Mid Mid (pH 6-8) 2.06 2.49 -3.94 1 3 0 27 248.37 5

Activity (Go SEA)

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