UCSF

ZINC09421817

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 27 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) 2.75 -6.9 -20.19 1 7 0 95 427.935 5
Hi High (pH 8-9.5) 2.75 -6.51 -50.65 0 7 -1 97 426.927 5

Activity (Go SEA)

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

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