UCSF

ZINC61409819

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 20 No

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) -0.80 -1.74 -14.45 2 8 0 99 302.356 2
Hi High (pH 8-9.5) -0.61 -4.37 -47.32 1 8 -1 105 301.348 2

Activity (Go SEA)

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

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