UCSF

ZINC41210090

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 23 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) -0.19 1.38 -16.5 1 7 0 89 341.433 7
Lo Low (pH 4.5-6) -0.19 1.78 -47.97 2 7 1 90 342.441 7

Activity (Go SEA)

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