UCSF

ZINC39226279

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) 2.72 12.39 -96.69 2 6 2 55 435.568 2
Hi High (pH 8-9.5) 2.72 7.66 -11.46 0 6 0 53 433.552 2
Mid Mid (pH 6-8) 2.72 10.03 -50.33 1 6 1 54 434.56 2

Activity (Go SEA)

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