UCSF

ZINC34652636

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) 1.34 2.15 -9.78 1 5 0 66 276.336 5
Mid Mid (pH 6-8) 1.34 4.46 -47.65 2 5 1 67 277.344 5

Activity (Go SEA)

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