UCSF

ZINC61439738

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 21 Yes

Download: MOL2 SDF SMILES Flexibase

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) 4.48 8.89 -53.65 1 4 -1 69 317.777 3
Lo Low (pH 4.5-6) 4.48 9.4 -40.75 2 4 0 70 318.785 3

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.