UCSF

ZINC31961964

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 18 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) -0.45 1.67 -95.46 5 6 2 77 251.334 3
Hi High (pH 8-9.5) -0.45 -1.2 -16.1 3 6 0 74 249.318 3
Mid Mid (pH 6-8) -0.45 1.28 -49.02 4 6 1 76 250.326 3
Mid Mid (pH 6-8) -0.45 -0.81 -53.53 4 6 1 76 250.326 3

Activity (Go SEA)

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