| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 21 | No |
Popular Name: (4S)-N-[3-(4-methyl-1-piperidyl)propyl]isothiochroman-4-amine (4S)-N-[3-(4-methyl-1-piperidyl)…
| 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) | 3.44 | 11.24 | -114.17 | 3 | 2 | 2 | 21 | 306.519 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.44 | 9 | -41.99 | 2 | 2 | 1 | 20 | 305.511 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.44 | 10.03 | -35.9 | 2 | 2 | 1 | 16 | 305.511 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
