| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 15 | Yes |
Popular Name: MFCD04150729 MFCD04150729
Find On: PubMed — Wikipedia — Google
CAS Number: 1052409-97-8
(3-Methyl-thiophen-2-ylmethyl)-pyridin-3-ylmethyl-amine hydrochloride
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) | 1.93 | 6.19 | -45.44 | 2 | 2 | 1 | 29 | 219.333 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.93 | 6.47 | -106.28 | 3 | 2 | 2 | 31 | 220.341 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
