| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 18 | No |
Popular Name: (3R)-3-(aminomethyl)-N-cycloheptyl-N-methyl-1,1-dioxo-thiolan-3-amine (3R)-3-(aminomethyl)-N-cyclohept…
| 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) | 1.15 | 0.06 | -63.2 | 3 | 4 | 1 | 65 | 275.438 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.15 | -0.25 | -9.68 | 2 | 4 | 0 | 63 | 274.43 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.15 | 1.83 | -47.2 | 3 | 4 | 1 | 65 | 275.438 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.15 | 2.13 | -140.81 | 4 | 4 | 2 | 66 | 276.446 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
