UCSF

ZINC39120667

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 15 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) 2.32 3.03 -5.54 2 3 0 41 212.337 4
Mid Mid (pH 6-8) 2.32 4.16 -46.27 3 3 1 46 213.345 4

Activity (Go SEA)

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