| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 18 | Yes |
Popular Name: (1S)-N-[2-(azocan-1-yl)ethyl]-1-(2-thienyl)ethanamine (1S)-N-[2-(azocan-1-yl)ethyl]-1-…
| 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) | 3.90 | 8.03 | -33.12 | 2 | 2 | 1 | 16 | 267.462 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.90 | 6.73 | -1.38 | 1 | 2 | 0 | 15 | 266.454 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.90 | 9.25 | -114.82 | 3 | 2 | 2 | 21 | 268.47 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
