| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 14 | Yes |
Popular Name: Hydroxycotinine Hydroxycotinine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 276799-61-2 , 34834-67-8
(5S)-3-hydroxy-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one
| 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) | -0.50 | 1.06 | -11.82 | 1 | 4 | 0 | 53 | 192.218 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -0.50 | -2.49 | -40.85 | 2 | 4 | 1 | 54 | 193.226 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -0.50 | 1.6 | -42.29 | 2 | 4 | 1 | 55 | 193.226 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4332945; US4442292; US4452984; US4590278 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.