| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2009 | 18 | Yes |
Popular Name: 2-methyl-4-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridyl]but-3-yn-2-ol 2-methyl-4-[5-[(2S)-1-methylpyrr…
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) | 1.45 | 6.01 | -38.81 | 2 | 3 | 1 | 38 | 245.346 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.45 | 4.11 | -6.59 | 1 | 3 | 0 | 36 | 244.338 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO1996015123A1 | IBM Patent Data |
