| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2010 | 17 | No |
Popular Name: (2R)-N-(2-furylmethyl)-2-(1,4-thiazepan-4-yl)propan-1-amine (2R)-N-(2-furylmethyl)-2-(1,4-th…
| 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) | 1.77 | 6.39 | -42.15 | 2 | 3 | 1 | 33 | 255.407 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.77 | 5.38 | -3.36 | 1 | 3 | 0 | 28 | 254.399 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.77 | 7.56 | -122.12 | 3 | 3 | 2 | 34 | 256.415 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-furfuryl-[2-(1,4-thiazepan-4-yl)ethyl]amine](http://zinc12.docking.org/img/rings/62122.gif)