UCSF

ZINC01640874

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 13 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) 0.33 -2.27 -10.75 1 3 0 40 177.203 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0396282A2; EP0625978A1; US5053411; USRE34201; WO1993016073A1; WO2000077010A2 IBM Patent Data

Activity (Go SEA)

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