UCSF

ZINC43895397

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 21 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) 2.81 7.88 -119.38 3 4 2 40 296.455 8
Hi High (pH 8-9.5) 2.81 6.14 -46 2 4 1 38 295.447 8
Mid Mid (pH 6-8) 2.81 6.59 -35.05 2 4 1 35 295.447 8

Activity (Go SEA)

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