UCSF

ZINC31958934

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 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) 1.33 4.29 -64.44 4 6 1 83 297.338 4
Mid Mid (pH 6-8) 1.33 3.91 -19.37 3 6 0 82 296.33 4
Mid Mid (pH 6-8) 1.33 4.69 -97.5 5 6 2 85 298.346 4

Activity (Go SEA)

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