UCSF

ZINC40447743

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 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) 2.06 3.77 -31.34 5 7 1 103 425.999 7
Hi High (pH 8-9.5) 2.06 1.43 -7.33 4 7 0 102 424.991 7

Vendor Notes

Note Type Comments Provided By
MP 143 TCI

Activity (Go SEA)

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

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