UCSF

ZINC34667244

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 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) 2.13 2.46 -9.73 1 4 0 42 283.343 5
Mid Mid (pH 6-8) 2.13 4.78 -43.09 2 4 1 43 284.351 5

Activity (Go SEA)

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