UCSF

ZINC59018532

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2011 26 No

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) 6.82 17.21 -79.19 2 3 2 24 363.634 14
Hi High (pH 8-9.5) 6.82 16.73 -43.66 1 3 1 22 362.626 14

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4925851 IBM Patent Data

Activity (Go SEA)

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