UCSF

ZINC43253367

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) 3.25 7.53 -30.33 3 3 1 40 317.906 6
Hi High (pH 8-9.5) 3.25 5.22 -2.17 2 3 0 38 316.898 6
Mid Mid (pH 6-8) 3.25 5.52 -44.34 3 3 1 40 317.906 6
Mid Mid (pH 6-8) 3.25 7.92 -115.78 4 3 2 41 318.914 6

Activity (Go SEA)

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