| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 23rd, 2011 | 15 | No |
Popular Name: (3S)-3-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-tetrahydrothiopyran-3-amine (3S)-3-(aminomethyl)-N-(3-methox…
| 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) | 0.39 | 1.95 | -39.99 | 3 | 3 | 1 | 40 | 233.401 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.39 | 1.1 | -2.85 | 2 | 3 | 0 | 38 | 232.393 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.39 | 3.7 | -118.97 | 4 | 3 | 2 | 41 | 234.409 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
