UCSF

ZINC32626928

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 15 No

Other Names:

MFCD11205064

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 0.62 -30.27 0 5 -1 75 268.046 1
Lo Low (pH 4.5-6) 0.59 2.4 -6.62 1 5 0 72 269.054 1

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID US4314023 IBM Patent Data

Activity (Go SEA)

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