UCSF

ZINC34685837

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 23 No

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) 1.47 5.23 -12.85 1 5 0 37 339.436 5
Mid Mid (pH 6-8) 1.47 7.47 -45.48 2 5 1 38 340.444 5

Activity (Go SEA)

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