UCSF

ZINC39228086

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 32 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) 6.10 10.51 -7.5 1 4 0 37 452.888 3
Mid Mid (pH 6-8) 6.10 12.58 -37.78 2 4 1 39 453.896 3

Activity (Go SEA)

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