UCSF

ZINC43544004

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2010 17 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) 4.34 3.46 -9.48 3 4 0 72 264.435 12
Hi High (pH 8-9.5) 4.34 3.11 -38.22 2 4 -1 74 263.427 12

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0482552B1; EP0501306B1; EP0502424B1; EP0503591B1; EP0510535B1; EP0513496A1; EP0524540A1; EP0524540B1; EP0544319B1; EP0557851B1; EP0568037A1; EP0568037B1; EP0573761B1; EP0578249A3; EP0756200A1; EP0756200B1; EP0849630A3; US5212052; US5213958; US5238803; U IBM Patent Data

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