| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 17 | Yes |
Popular Name: (3S)-1-[(1R,2R)-2-(aminomethyl)cycloheptyl]-N,N-dimethyl-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) | 1.57 | 4.42 | -88.58 | 4 | 3 | 2 | 35 | 241.423 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.57 | 2.02 | -42.93 | 3 | 3 | 1 | 34 | 240.415 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.57 | 6.2 | -198.22 | 5 | 3 | 3 | 37 | 242.431 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
