| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 17 | No |
Popular Name: (3R)-3-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1,1-dioxo-thian-3-amine (3R)-3-(aminomethyl)-N-(cyclobut…
| 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) | 0.05 | 0.55 | -50.64 | 3 | 4 | 1 | 65 | 261.411 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.05 | -0.18 | -9.84 | 2 | 4 | 0 | 63 | 260.403 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.05 | 2.37 | -137.1 | 4 | 4 | 2 | 66 | 262.419 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
