UCSF

ZINC09603383

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2007 25 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) 3.27 8.49 -16.19 1 5 0 66 353.447 3
Hi High (pH 8-9.5) 3.72 7.19 -44.83 0 5 -1 69 352.439 3

Activity (Go SEA)

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