UCSF

ZINC39301161

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 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) 5.45 11.49 -13.52 5 8 0 114 434.544 9
Mid Mid (pH 6-8) 5.45 11.54 -36.47 6 8 1 115 435.552 9
Mid Mid (pH 6-8) 5.45 11.5 -35.22 6 8 1 115 435.552 9

Activity (Go SEA)

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