UCSF

ZINC04226738

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 14 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) -0.07 4.31 -112.77 4 3 2 45 195.31 6
Lo Low (pH 4.5-6) -0.07 4.59 -169.91 5 3 3 46 196.318 6

Activity (Go SEA)

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