UCSF

ZINC06968910

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2006 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) 2.39 4.32 -13.92 1 6 0 78 360.435 3
Hi High (pH 8-9.5) 2.39 5.13 -54.65 0 6 -1 81 359.427 3

Activity (Go SEA)

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