UCSF

ZINC42825562

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 14 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) 1.09 4.07 -110.84 4 3 2 42 202.342 6
Hi High (pH 8-9.5) 1.08 1.54 -1.56 2 3 0 33 200.326 6
Mid Mid (pH 6-8) 1.09 2.72 -33.7 3 3 1 38 201.334 6
Mid Mid (pH 6-8) 1.09 2.86 -35.69 3 3 1 38 201.334 6

Activity (Go SEA)

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