UCSF

ZINC43262783

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.84 3.39 -123.71 5 4 2 62 353.326 8
Hi High (pH 8-9.5) 1.84 0.96 -5.6 3 4 0 59 351.31 8
Mid Mid (pH 6-8) 1.84 3.05 -40.79 4 4 1 60 352.318 8
Mid Mid (pH 6-8) 1.84 1.35 -42.3 4 4 1 60 352.318 8

Activity (Go SEA)

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