UCSF

ZINC32544242

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2009 10 Yes

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) 1.15 1.98 -39.73 0 4 -1 53 151.174 1
Lo Low (pH 4.5-6) 1.15 2.05 -7.11 1 4 0 54 152.182 1

Vendor Notes

Note Type Comments Provided By
MP 201 - 203 Enamine Building Blocks
MP 201...203 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0421365A2; EP0421365B1; EP0528277A1 IBM Patent Data
PUBCHEM_PATENT_ID US5380739 IBM Patent Data

Activity (Go SEA)

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

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