UCSF

ZINC37788192

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 2.06 6.06 -44.41 2 4 1 46 269.409 5
Lo Low (pH 4.5-6) 2.06 8.45 -110.58 3 4 2 47 270.417 5

Activity (Go SEA)

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