| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 18th, 2009 | 22 | No |
Popular Name: (3S)-1-[2-(2-carbamothioylanilino)-2-oxo-ethyl]piperidine-3-carboxylic (3S)-1-[2-(2-carbamothioylanilin…
| 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) | 1.28 | 5.91 | -68.42 | 4 | 6 | 0 | 100 | 321.402 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.28 | 3.56 | -69.35 | 3 | 6 | -1 | 98 | 320.394 | 5 | ↓ |
