| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 19 | Yes |
Popular Name: (3S)-1-[[(1S,2S)-2-aminocycloheptyl]methyl]-N,N-diethyl-pyrrolidin-3-amine (3S)-1-[[(1S,2S)-2-aminocyclohep…
| 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) | 2.40 | 5.48 | -93.7 | 4 | 3 | 2 | 35 | 269.477 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.40 | 3.37 | -43.34 | 3 | 3 | 1 | 34 | 268.469 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.40 | 7.8 | -208.54 | 5 | 3 | 3 | 37 | 270.485 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
