| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2011 | 17 | Yes |
Popular Name: (1S,2R)-2-[(2S)-2-(dimethylaminomethyl)pyrrolidin-1-yl]cycloheptanamine (1S,2R)-2-[(2S)-2-(dimethylamino…
| 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) | 1.53 | 4.44 | -29.53 | 3 | 3 | 1 | 34 | 240.415 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.53 | 2.87 | -34.09 | 3 | 3 | 1 | 34 | 240.415 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.53 | 5.04 | -99.6 | 4 | 3 | 2 | 35 | 241.423 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.53 | 6.78 | -103.07 | 4 | 3 | 2 | 35 | 241.423 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.53 | 7 | -221.37 | 5 | 3 | 3 | 37 | 242.431 | 3 | ↓ |
