UCSF

ZINC41565237

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) 0.90 4.79 -45.41 2 5 1 46 286.44 9
Lo Low (pH 4.5-6) 0.90 7.18 -108.1 3 5 2 47 287.448 9
Lo Low (pH 4.5-6) 0.90 4.72 -42.66 2 5 1 46 286.44 9

Activity (Go SEA)

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