UCSF

ZINC31519018

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 8.38 17.59 -45.02 1 4 1 44 450.643 15
Hi High (pH 8-9.5) 8.38 15.33 -8.23 0 4 0 43 449.635 15

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5223510 IBM Patent Data

Activity (Go SEA)

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