UCSF

ZINC43904122

Substance Information

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

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.87 7.28 -128.46 3 4 2 40 278.396 5
Mid Mid (pH 6-8) 2.87 6.17 -35.92 2 4 1 35 277.388 5

Activity (Go SEA)

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