| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 21 | Yes |
Popular Name: (3S)-N,N-diethyl-1-[(1S,2R)-2-(propylamino)cycloheptyl]pyrrolidin-3-amine (3S)-N,N-diethyl-1-[(1S,2R)-2-(p…
| 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) | 3.80 | 7.61 | -32.74 | 2 | 3 | 1 | 20 | 296.523 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.80 | 7.26 | -31.21 | 2 | 3 | 1 | 20 | 296.523 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.80 | 6.5 | -32.78 | 2 | 3 | 1 | 23 | 296.523 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.80 | 8.61 | -85.33 | 3 | 3 | 2 | 24 | 297.531 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
