UCSF

ZINC43265808

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 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) 2.94 8.37 -43.77 2 4 1 37 298.357 3
Mid Mid (pH 6-8) 2.94 6.4 -10.16 1 4 0 36 297.349 3

Activity (Go SEA)

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