| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 19 | Yes |
Popular Name: (1S,2S)-2-[[(3R)-3-(diethylamino)pyrrolidin-1-yl]methyl]cycloheptanol (1S,2S)-2-[[(3R)-3-(diethylamino…
| 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) | 2.89 | 7.26 | -103.1 | 3 | 3 | 2 | 29 | 270.461 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.89 | 3.01 | -1.75 | 1 | 3 | 0 | 27 | 268.445 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.89 | 5.17 | -30.91 | 2 | 3 | 1 | 28 | 269.453 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.89 | 5.23 | -33.11 | 2 | 3 | 1 | 28 | 269.453 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
