UCSF

ZINC72338596

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2012 14 Yes

Other Names:

MFCD09263387

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) 1.05 2.69 -39.48 3 4 1 55 201.29 5
Hi High (pH 8-9.5) 1.05 1.26 -4.2 2 4 0 50 200.282 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0393400A1; EP0393400B1; EP0470578A1; EP0470578B1; EP0596126A1; EP0700912A1; US5245037; US5254685; US5399553; US5407932; US5412098 IBM Patent Data

Activity (Go SEA)

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

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