UCSF

ZINC35191148

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 35 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) 8.07 18.07 -27.2 2 5 1 57 470.637 8
Mid Mid (pH 6-8) 8.07 17.71 -12.78 1 5 0 56 469.629 8
Mid Mid (pH 6-8) 8.07 17.88 -33.43 2 5 1 60 470.637 8
Lo Low (pH 4.5-6) 8.07 18.21 -89.62 3 5 2 61 471.645 8

Activity (Go SEA)

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