UCSF

ZINC60253183

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 15 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) 2.76 8.26 -92.91 2 2 2 9 214.397 4
Mid Mid (pH 6-8) 2.76 5.34 -30.52 1 2 1 8 213.389 4
Mid Mid (pH 6-8) 2.76 6.59 -31.17 1 2 1 8 213.389 4

Activity (Go SEA)

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