UCSF

ZINC05958008

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2006 16 Yes

Other Names:

MFCD11613279

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) 0.80 0.23 -42.25 2 4 1 43 226.296 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4617409 IBM Patent Data

Activity (Go SEA)

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