UCSF

ZINC39301173

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 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) 3.96 8.31 -24.82 7 10 0 157 469.505 8
Mid Mid (pH 6-8) 3.96 8.18 -46.27 8 10 1 159 470.513 8
Mid Mid (pH 6-8) 3.96 8.07 -47.63 8 10 1 159 470.513 8

Activity (Go SEA)

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