UCSF

ZINC62321339

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 19 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) 0.59 3.42 -28.59 4 6 1 73 279.755 3
Hi High (pH 8-9.5) 0.59 2.96 -11.41 3 6 0 72 278.747 3
Lo Low (pH 4.5-6) 0.59 4.17 -79.22 5 6 2 74 280.763 3

Activity (Go SEA)

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

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