UCSF

ZINC42474646

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 1.72 4.51 -35.66 3 6 1 66 327.493 8
Mid Mid (pH 6-8) 1.72 4.46 -40.92 3 6 1 66 327.493 8
Mid Mid (pH 6-8) 1.72 2.27 -13.94 2 6 0 65 326.485 8

Activity (Go SEA)

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