UCSF

ZINC32151349

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 12 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) 3.82 7.46 -4.16 0 2 0 26 172.268 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0503785A1; EP0545912A3; EP0567271A2; EP0567271B1; EP0573218A2; EP0573218A3; EP0603001A1; EP0603001B1; EP0725074A2; EP0725074A3; EP0776893A1; EP0795326A1; EP0823428A2; EP0823428A3; EP0934939A1; EP1031572A1; EP1048658A1; EP1057827A1; US5459148; US5536714 IBM Patent Data

Activity (Go SEA)

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