| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2011 | 21 | Yes |
Popular Name: (3S)-1-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[4-(2-hydroxyethyl)pipera…
| 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) | -0.24 | 2.16 | -54.99 | 1 | 7 | -1 | 87 | 298.363 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.24 | 4.5 | -79.73 | 2 | 7 | 0 | 88 | 299.371 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
