UCSF

ZINC43253704

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 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) 2.56 3.4 -108.75 6 4 2 75 317.886 5
Hi High (pH 8-9.5) 2.56 1.12 -8.54 4 4 0 72 315.87 5
Hi High (pH 8-9.5) 2.56 1.42 -46.77 5 4 1 74 316.878 5
Mid Mid (pH 6-8) 2.56 3.12 -32.83 5 4 1 74 316.878 5

Activity (Go SEA)

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