UCSF

ZINC31992605

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 18 No

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) -1.60 -0.42 -8.54 2 6 0 76 255.318 5
Mid Mid (pH 6-8) -1.60 -0.09 -60.35 3 6 1 77 256.326 5
Mid Mid (pH 6-8) -1.60 2.24 -105.26 4 6 2 79 257.334 5
Mid Mid (pH 6-8) -1.60 1.91 -40.38 3 6 1 77 256.326 5

Activity (Go SEA)

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