UCSF

ZINC01684928

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 10 Yes

Other Names:

MFCD00019464

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) 2.70 1.51 -4.07 0 1 0 17 140.226 2

Vendor Notes

Note Type Comments Provided By
BP 198 TCI
PUBCHEM_PATENT_ID EP0915853A1; EP0931072A1; EP0944623A2; EP0998472A1; US6054412; US6054413; WO1998005649A1; WO1998012182A1; WO1998027090A2; WO1998038169A1; WO1999006394A1; WO1999055702A1 IBM Patent Data

Activity (Go SEA)

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