UCSF

ZINC05329057

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 26 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) 3.55 -6.9 -16.67 1 6 0 83 394.518 6
Hi High (pH 8-9.5) 3.55 -6.33 -47.93 0 6 -1 85 393.51 6

Activity (Go SEA)

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