| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 17 | Yes |
Popular Name: (3S)-N,N-dimethyl-1-[(1S,2S)-2-(methylamino)cycloheptyl]pyrrolidin-3-amine (3S)-N,N-dimethyl-1-[(1S,2S)-2-(…
| 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) | 2.17 | 6.06 | -87.57 | 3 | 3 | 2 | 24 | 241.423 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.17 | 5.04 | -27.12 | 2 | 3 | 1 | 20 | 240.415 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.17 | 3.67 | -32.62 | 2 | 3 | 1 | 23 | 240.415 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
