UCSF

ZINC31934237

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 21 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) 3.25 10.87 -10.11 0 3 0 42 273.339 3
Mid Mid (pH 6-8) 3.25 11.22 -26.52 1 3 1 43 274.347 3

Activity (Go SEA)

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