UCSF

ZINC06655869

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 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) 3.07 8.58 -21.45 1 5 0 62 331.441 8
Hi High (pH 8-9.5) 2.89 7.51 -42.46 0 5 -1 69 330.433 8

Activity (Go SEA)

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