UCSF

ZINC62937899

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 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) 0.30 7.36 -45.66 1 6 0 82 282.34 6
Hi High (pH 8-9.5) 0.30 4.83 -56.21 0 6 -1 81 281.332 6

Activity (Go SEA)

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

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