UCSF

ZINC31965780

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 25 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) 1.92 7.41 -57.94 1 7 -1 96 338.343 6
Lo Low (pH 4.5-6) 1.92 7.81 -62.87 2 7 0 97 339.351 6
Lo Low (pH 4.5-6) 1.92 6.69 -38.37 3 7 1 94 340.359 6

Activity (Go SEA)

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