UCSF

ZINC42945189

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 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) 2.33 4.96 -122.26 5 4 2 61 299.846 7
Mid Mid (pH 6-8) 2.33 3.78 -51.3 4 4 1 60 298.838 7
Mid Mid (pH 6-8) 2.33 4.64 -35.31 4 4 1 60 298.838 7

Activity (Go SEA)

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