UCSF

ZINC21992033

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 16 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) 3.93 7.13 -56.89 0 3 -1 49 221.276 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0360014A1; EP0360014B1; EP0410803A3; EP0411839A3; EP0412851B1; EP0483412B1; EP0626622A1; US5021321; US5073791; US5254434; US5266441; US5415974 IBM Patent Data

Activity (Go SEA)

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