UCSF

ZINC06523206

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2006 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) 4.29 8.65 -8.39 0 2 0 22 249.313 2
Lo Low (pH 4.5-6) 4.29 8.9 -26.68 1 2 1 23 250.321 2

Activity (Go SEA)

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