| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2011 | 19 | No |
Popular Name: (1S)-N,N-dimethyl-1-(o-tolyl)-N'-tetrahydrothiopyran-4-yl-ethane-1,2-diamine (1S)-N,N-dimethyl-1-(o-tolyl)-N'…
| 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) | 3.02 | 7.81 | -43.05 | 2 | 2 | 1 | 20 | 279.473 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.02 | 6.74 | -2.82 | 1 | 2 | 0 | 15 | 278.465 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.02 | 10.03 | -123.27 | 3 | 2 | 2 | 21 | 280.481 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
