UCSF

ZINC48666252

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.44 6.07 -44.13 1 4 1 42 321.825 3
Hi High (pH 8-9.5) 2.44 3.43 -8.08 0 4 0 41 320.817 3

Activity (Go SEA)

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