UCSF

ZINC44960183

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 20 No

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) 4.51 7.73 -2.09 1 1 0 20 274.448 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0288102A1; EP0562843A3; EP0562843B1; EP0804209A1; EP1024698A1; US4330539; US4384206; US4451460; US4534976; US4610877; US4657759; US4668455; US4670401; US4879244; US4931403; US5120709; US5155045; US5272134; US5278141; US5372822; US5604214; WO1986004236A1 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.