UCSF

ZINC39227787

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 34 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) 3.82 8.87 -19.79 2 7 0 83 456.546 6
Mid Mid (pH 6-8) 4.28 9.1 -45.78 2 7 0 88 456.546 6

Activity (Go SEA)

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