UCSF

ZINC01689817

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 14 Yes

Other Names:

MFCD00019336

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) 3.26 -2.33 -4.62 2 2 0 40 192.258 1

Vendor Notes

Note Type Comments Provided By
MP 123-125° Oakwood Chemical
PUBCHEM_PATENT_ID WO2000056702A1 IBM Patent Data

Activity (Go SEA)

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