UCSF

ZINC60283656

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) 0.17 5.77 -82.82 2 4 2 29 215.341 3
Hi High (pH 8-9.5) 0.17 3.42 -40.27 1 4 1 28 214.333 3
Hi High (pH 8-9.5) 0.17 3.22 -36.19 1 4 1 28 214.333 3

Activity (Go SEA)

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