UCSF

ZINC02576999

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 13 Yes

Other Names:

MFCD02093533

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) 1.07 2.42 -4.11 1 2 0 23 177.247 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US6093733 IBM Patent Data

Activity (Go SEA)

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