| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 16th, 2011 | 16 | Yes |
Popular Name: (4S)-4-[(2S)-2-methylpyrrolidin-1-yl]-1,2,3,4-tetrahydroisoquinoline (4S)-4-[(2S)-2-methylpyrrolidin-…
| 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) | 2.03 | 4.52 | -32.24 | 2 | 2 | 1 | 16 | 217.336 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.03 | 3.12 | -3.12 | 1 | 2 | 0 | 15 | 216.328 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.03 | 5.86 | -111.1 | 3 | 2 | 2 | 21 | 218.344 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
