UCSF

ZINC60215292

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 23 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) 2.19 4.06 -10.36 4 5 0 83 327.409 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0513387A1; EP0934937A1; US5643932; US5677319; US6080764 IBM Patent Data

Activity (Go SEA)

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