| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 14 | Yes |
Popular Name: (1R)-1-[(3S)-1-[(1S)-1-cyclopropylethyl]-3-piperidyl]ethanamine (1R)-1-[(3S)-1-[(1S)-1-cycloprop…
| 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) | 1.52 | 5.72 | -104.61 | 4 | 2 | 2 | 32 | 198.354 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.52 | 5.42 | -29.61 | 3 | 2 | 1 | 30 | 197.346 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.52 | 3.4 | -40.72 | 3 | 2 | 1 | 31 | 197.346 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
