UCSF

ZINC02514137

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 Yes

Other Names:

MFCD03841079

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) 3.49 6.99 -6.03 0 2 0 26 206.285 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5201932; US5244867; US5256633; US5284821 IBM Patent Data

Activity (Go SEA)

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