UCSF

ZINC34667869

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 26 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) 3.10 10.93 -44.2 2 5 1 50 351.474 5
Mid Mid (pH 6-8) 3.10 8.73 -9.81 1 5 0 48 350.466 5
Mid Mid (pH 6-8) 3.10 9.05 -34.05 2 5 1 50 351.474 5
Mid Mid (pH 6-8) 3.10 11.27 -101.58 3 5 2 51 352.482 5

Activity (Go SEA)

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