| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 17 | Yes |
Popular Name: (4S)-N-cyclopentyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-4-amine (4S)-N-cyclopentyl-N-methyl-1,2,…
| 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) | 2.70 | 6.53 | -31.02 | 2 | 2 | 1 | 16 | 231.363 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.70 | 4.7 | -2.11 | 1 | 2 | 0 | 15 | 230.355 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.70 | 7.89 | -111.93 | 3 | 2 | 2 | 21 | 232.371 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
