| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2008 | 15 | Yes |
Popular Name: [2-(1-Azepanyl)-3-pyridinyl]methanamine [2-(1-Azepanyl)-3-pyridinyl]meth…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 954575-54-3 , N/A
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) | 1.69 | 4.57 | -98.59 | 4 | 3 | 2 | 45 | 207.321 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.69 | 4.99 | -4.1 | 2 | 3 | 0 | 42 | 205.305 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.69 | 4.29 | -45.53 | 3 | 3 | 1 | 44 | 206.313 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.