| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 18 | Yes |
Popular Name: (1S,2R)-2-[(3S)-3-(diethylamino)pyrrolidin-1-yl]cycloheptanol (1S,2R)-2-[(3S)-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) | 2.50 | 4.25 | -31.79 | 2 | 3 | 1 | 28 | 255.426 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.50 | 6.48 | -99.99 | 3 | 3 | 2 | 29 | 256.434 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.50 | 4.33 | -29.27 | 2 | 3 | 1 | 28 | 255.426 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
