UCSF

ZINC41514804

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.52 8.2 -52.86 2 4 1 55 330.791 4
Hi High (pH 8-9.5) 3.52 6.43 -39.23 0 4 -1 57 328.775 4
Mid Mid (pH 6-8) 3.52 5.86 -10.19 1 4 0 54 329.783 4

Activity (Go SEA)

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