| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 15 | Yes |
Popular Name: MFCD11104055 MFCD11104055
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1152596-93-4 , N/A
2-((3-Methoxypropyl)amino)nicotinic acid
2-[(3-Methoxypropyl)amino]nicotinic acid
| 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) | 0.68 | 4.48 | -45.27 | 2 | 5 | 0 | 76 | 210.233 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.68 | 4.12 | -47.34 | 1 | 5 | -1 | 74 | 209.225 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
