UCSF

ZINC31972950

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) 2.94 8.84 -56.09 0 5 -1 67 295.318 5
Mid Mid (pH 6-8) 2.94 9.26 -56.39 1 5 0 68 296.326 5

Activity (Go SEA)

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