UCSF

ZINC31966037

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) 0.14 4.46 -58.06 2 7 -1 107 299.31 7
Lo Low (pH 4.5-6) 0.14 3.77 -52.24 4 7 1 105 301.326 7
Lo Low (pH 4.5-6) 0.14 4.89 -84.86 3 7 0 108 300.318 7

Activity (Go SEA)

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