UCSF

ZINC47830241

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 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) 1.85 2.76 -14.56 2 6 0 65 282.388 6
Mid Mid (pH 6-8) 1.85 4.9 -45.9 3 6 1 66 283.396 6

Activity (Go SEA)

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