UCSF

ZINC41160532

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 17 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) 1.37 4.45 -125.62 4 3 2 41 242.338 6
Mid Mid (pH 6-8) 1.37 2.69 -44.72 3 3 1 40 241.33 6

Activity (Go SEA)

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