| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 14 | No |
Popular Name: (3S)-3-(aminomethyl)-N-cyclopropyl-N-methyl-1,1-dioxo-thiolan-3-amine (3S)-3-(aminomethyl)-N-cycloprop…
| 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) | -0.90 | -1.48 | -60.24 | 3 | 4 | 1 | 65 | 219.33 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.90 | 0.38 | -42.63 | 3 | 4 | 1 | 65 | 219.33 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.90 | -1.85 | -10.26 | 2 | 4 | 0 | 63 | 218.322 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.90 | 0.49 | -140.67 | 4 | 4 | 2 | 66 | 220.338 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
