UCSF

ZINC38141482

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2010 40 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) -6.11 0.67 -205.32 9 18 -3 331 609.616 21
Hi High (pH 8-9.5) -6.11 0.35 -239.64 8 18 -4 329 608.608 21
Mid Mid (pH 6-8) -6.11 0.95 -190.08 10 18 -2 332 610.624 21

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1033124A1 IBM Patent Data

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

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