UCSF

ZINC02242699

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2004 11 Yes

CAS Number: 2722-36-3

Other Names:

MFCD00002932

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) 2.55 -0.74 -3.97 1 1 0 20 150.221 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4211696; US5420256 IBM Patent Data
PUBCHEM_PATENT_ID WO1994018188A1 IBM Patent Data

Activity (Go SEA)

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