UCSF

ZINC31993204

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 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) 1.75 4.96 -47.04 3 3 1 44 288.44 4
Mid Mid (pH 6-8) 1.75 7.25 -119.45 4 3 2 45 289.448 4
Mid Mid (pH 6-8) 1.75 6.93 -41.37 3 3 1 43 288.44 4

Activity (Go SEA)

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