UCSF

ZINC41287768

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 18 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) 2.77 7.22 -17.78 1 4 0 46 245.326 6
Mid Mid (pH 6-8) 2.77 7.51 -31.24 2 4 1 48 246.334 6

Activity (Go SEA)

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