UCSF

ZINC62963086

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 17 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) -3.23 -0.06 -61.99 2 6 0 94 262.331 2
Hi High (pH 8-9.5) -3.23 -1.46 -42.43 1 6 -1 90 261.323 2
Hi High (pH 8-9.5) -3.23 0.41 -33.32 2 6 0 91 262.331 2

Activity (Go SEA)

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

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