UCSF

ZINC39965029

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 36 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) 4.42 7.54 -21.72 2 8 0 99 512.676 8
Mid Mid (pH 6-8) 4.42 9.69 -60.97 3 8 1 100 513.684 8

Activity (Go SEA)

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