UCSF

ZINC06669263

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2006 28 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) 4.68 9.43 -15.37 2 6 0 84 400.548 6
Hi High (pH 8-9.5) 4.87 8.35 -43.86 1 6 -1 90 399.54 6

Activity (Go SEA)

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