UCSF

ZINC05162895

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 23 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) 5.82 8.55 -11.39 1 2 0 33 295.341 0
Hi High (pH 8-9.5) 5.82 9.32 -49.13 0 2 -1 36 294.333 0
Lo Low (pH 4.5-6) 5.82 8.96 -27.55 2 2 1 34 296.349 0

Activity (Go SEA)

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