UCSF

ZINC36224297

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 3.63 9.14 -45.5 1 4 0 59 266.3 2
Mid Mid (pH 6-8) 3.63 8.69 -61.63 0 4 -1 57 265.292 2

Activity (Go SEA)

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