UCSF

ZINC36334182

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 14 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) 1.47 3.37 -8.9 1 3 0 38 191.23 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0490269A1; EP0490269B1; EP0505972B1; US5250629 IBM Patent Data

Activity (Go SEA)

Rings

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