| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2011 | 19 | Yes |
Popular Name: (3S)-1-(2-imidazol-1-ylethyl)-3-propyl-piperidine-3-carboxylic (3S)-1-(2-imidazol-1-ylethyl)-3-…
| 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) | 1.18 | 10.21 | -42.14 | 1 | 5 | 0 | 62 | 265.357 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.18 | 8.65 | -45.01 | 0 | 5 | -1 | 61 | 264.349 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.18 | 10.73 | -83.01 | 2 | 5 | 1 | 64 | 266.365 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
