| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 20 | No |
Popular Name: 1-[1-[(3S)-3-(aminomethyl)-1,1-dioxo-thian-3-yl]-4-piperidyl]-N,N-dimethyl-methanamine 1-[1-[(3S)-3-(aminomethyl)-1,1-d…
| 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) | -0.19 | 1.73 | -102.77 | 4 | 5 | 2 | 69 | 305.488 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.19 | 1 | -42.79 | 3 | 5 | 1 | 68 | 304.48 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.19 | 3.13 | -105.06 | 4 | 5 | 2 | 69 | 305.488 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.19 | 3.58 | -217.03 | 5 | 5 | 3 | 71 | 306.496 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
