UCSF

ZINC02033561

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 10 Yes

Other Names:

MFCD16620947

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) 1.17 0.25 -6.25 1 3 0 46 146.186 5

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0144832A2; US4734367; US4820705; US4929754; US5585070; US5658800 IBM Patent Data

Activity (Go SEA)

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