UCSF

ZINC47653539

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.71 3.61 -12.25 2 6 0 85 348.424 6
Mid Mid (pH 6-8) 2.71 3.63 -43.45 1 6 -1 87 347.416 6

Activity (Go SEA)

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