UCSF

ZINC06534155

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 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) 1.94 4.61 -13.71 2 8 0 96 370.438 6
Hi High (pH 8-9.5) 1.94 5.37 -45.25 1 8 -1 99 369.43 6
Lo Low (pH 4.5-6) 1.94 5.38 -88.94 3 8 0 97 371.446 6

Activity (Go SEA)

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