UCSF

ZINC39761644

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 22 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) 3.48 8.54 -10.55 1 6 0 81 317.37 6
Mid Mid (pH 6-8) 3.48 8.34 -46.44 0 6 -1 79 316.362 6

Activity (Go SEA)

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