| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2011 | 20 | Yes |
Popular Name: (3S)-1-(1,4-diazepane-1-carbonyl)-3-ethyl-piperidine-3-carboxylic (3S)-1-(1,4-diazepane-1-carbonyl…
| 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) | 0.40 | 6.13 | -89.98 | 2 | 6 | 0 | 80 | 283.372 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.40 | 4.45 | -52.79 | 1 | 6 | -1 | 76 | 282.364 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
