UCSF

ZINC08615769

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2007 26 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) 3.15 2.25 -50.13 1 4 1 33 355.502 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0061487A1; US4270991; US4844901; US4940725; US5302611; US5401308; US5407476; US5578118; US5650000; US6103000; WO1995033798A1; WO1995033799A1 IBM Patent Data

Activity (Go SEA)

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