| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 26 | No |
Popular Name: (3S,5S)-4-(2-dimethylaminoethyl)-3,5-dimethyl-N-(p-tolylsulfonyl)piperazine-1-carboxamide (3S,5S)-4-(2-dimethylaminoethyl)…
| 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) | 1.56 | 3.87 | -80.94 | 1 | 7 | 0 | 80 | 382.53 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.56 | 0.85 | -16.01 | 1 | 7 | 0 | 76 | 382.53 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.56 | 1.4 | -56.61 | 0 | 7 | -1 | 79 | 381.522 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.56 | 5.87 | -126.3 | 2 | 7 | 1 | 82 | 383.538 | 6 | ↓ |
