UCSF

ZINC34582679

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 31 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) 0.59 2.54 -16.9 0 10 0 104 458.533 10
Mid Mid (pH 6-8) 0.59 4.77 -45.1 1 10 1 105 459.541 10

Activity (Go SEA)

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