UCSF

ZINC03989349

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2005 20 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) 3.19 -3.48 -3.83 2 2 0 40 276.42 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US2843609 IBM Patent Data

Activity (Go SEA)

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