| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2011 | 21 | Yes |
Popular Name: (3S)-1-(4-methylpiperazine-1-carbonyl)-3-propyl-piperidine-3-carboxylic (3S)-1-(4-methylpiperazine-1-car…
| 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) | 1.29 | 8.28 | -81.37 | 1 | 6 | 0 | 68 | 297.399 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.29 | 5.89 | -51.95 | 0 | 6 | -1 | 67 | 296.391 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
