UCSF

ZINC08579841

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2007 21 Yes

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) -1.68 -10.13 -54.4 5 9 1 124 295.323 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5705491; US5773603 IBM Patent Data

Activity (Go SEA)

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