| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 23 | No |
Popular Name: 1-[1-(cyanomethyl)-4-piperidyl]-3-[(1S,2R,4S)-1,7,7-trimethylnorbornan-2-yl]urea 1-[1-(cyanomethyl)-4-piperidyl]-…
| 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) | 2.62 | 5.49 | -10.79 | 2 | 5 | 0 | 68 | 318.465 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.62 | 7.75 | -51.22 | 3 | 5 | 1 | 69 | 319.473 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
