| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 18 | No |
Popular Name: (3S)-3-(aminomethyl)-N-methyl-1,1-dioxo-N-[[(2S)-tetrahydrofuran-2-yl]methyl]thian-3-amine (3S)-3-(aminomethyl)-N-methyl-1,…
| 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) | -0.62 | -1.21 | -42.97 | 3 | 5 | 1 | 74 | 277.41 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.62 | -1.87 | -11.59 | 2 | 5 | 0 | 73 | 276.402 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.62 | 0.88 | -124.83 | 4 | 5 | 2 | 75 | 278.418 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
