UCSF

ZINC67983255

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 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) -0.36 3.54 -55.66 4 7 1 96 304.403 5
Lo Low (pH 4.5-6) -0.36 3.87 -110.93 5 7 2 97 305.411 5
Lo Low (pH 4.5-6) -0.36 4.33 -168.67 6 7 3 98 306.419 5
Lo Low (pH 4.5-6) -0.36 3.98 -89.9 5 7 2 97 305.411 5

Activity (Go SEA)

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

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