UCSF

ZINC34546687

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 17 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) 2.36 7.77 -42.39 2 3 1 43 234.319 8
Mid Mid (pH 6-8) 2.36 6.62 -6.59 1 3 0 38 233.311 8

Activity (Go SEA)

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