In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 23rd, 2009 | 26 | No |
Popular Name: 2-(3,4-dichlorophenyl)-N-hydroxy-N-[(1R)-1-phenyl-2-pyrrolidin-1-yl-ethyl]acetamide 2-(3,4-dichlorophenyl)-N-hydroxy…
None
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) | 4.45 | 11.5 | -46.15 | 2 | 4 | 1 | 45 | 394.322 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.45 | 12.31 | -26.47 | 1 | 4 | 0 | 48 | 393.314 | 6 | ↓ |
Note Type | Comments | Provided By |
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PUBCHEM_PATENT_ID | US6031114; US6110947; WO1996030339A1 | IBM Patent Data |