| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2010 | 14 | Yes |
Popular Name: (3S)-N-methyl-1-[(3-methylisoxazol-5-yl)methyl]pyrrolidin-3-amine (3S)-N-methyl-1-[(3-methylisoxaz…
| 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) | 0.59 | 3.26 | -40.62 | 2 | 4 | 1 | 42 | 196.274 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.59 | 2.07 | -44.73 | 2 | 4 | 1 | 46 | 196.274 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.59 | 4.56 | -117.82 | 3 | 4 | 2 | 47 | 197.282 | 3 | ↓ |
