UCSF

ZINC13679897

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 24 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) 4.47 8.96 -10.36 2 6 0 79 345.834 6
Lo Low (pH 4.5-6) 4.47 9.21 -33.54 3 6 1 80 346.842 6
Lo Low (pH 4.5-6) 4.47 4.87 -28.47 3 6 1 80 346.842 6

Activity (Go SEA)

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

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