UCSF

ZINC05846557

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 19 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) 2.32 8.16 -38.39 2 3 1 34 261.389 6
Hi High (pH 8-9.5) 2.32 6 -8.07 1 3 0 32 260.381 6

Activity (Go SEA)

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