UCSF

ZINC34560418

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 34 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) 5.38 13.78 -50.17 2 5 1 56 456.61 6
Hi High (pH 8-9.5) 5.38 11.58 -12.19 1 5 0 54 455.602 6
Lo Low (pH 4.5-6) 5.38 14.31 -102.63 3 5 2 57 457.618 6

Activity (Go SEA)

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

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