UCSF

ZINC36761573

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 9 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) -1.23 -2.53 -12.23 2 4 0 59 133.147 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0084100A1; EP0106306A2; EP0106306B2; EP0161577A2; EP0161577B1; EP0162328A2; EP0163314A2; EP0163314B1; EP0164030A2; EP0166417A2; EP0175573A2; EP0199604A2; EP0206049A2; EP0213700A2; EP0218266A2; EP0218266B1; EP0230659A2; EP0230659B1; EP0231832B1; EP023613 IBM Patent Data

Activity (Go SEA)

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