| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 19 | Yes |
Popular Name: (3S)-1-[(1R,2R)-2-(aminomethyl)cycloheptyl]-N,N-diethyl-pyrrolidin-3-amine (3S)-1-[(1R,2R)-2-(aminomethyl)c…
| 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) | 2.32 | 5.07 | -89.45 | 4 | 3 | 2 | 35 | 269.477 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.32 | 2.95 | -43.95 | 3 | 3 | 1 | 34 | 268.469 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.32 | 7.13 | -202.83 | 5 | 3 | 3 | 37 | 270.485 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
