UCSF

ZINC03792296

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 34 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) 4.86 -3.84 -104.51 6 6 2 89 472.67 14

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5093355 IBM Patent Data

Activity (Go SEA)

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