UCSF

ZINC36373726

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 18 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) 5.30 10.09 -3.95 0 1 0 9 240.346 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1016670A1; US5840684; US5843889 IBM Patent Data
PUBCHEM_PATENT_ID US4471073; US4480052; US4682193 IBM Patent Data

Activity (Go SEA)

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