| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 21 | No |
Popular Name: 1-[4-[(1S)-1-methylpropyl]piperazine-1-carbonyl]cyclohexanecarbothioamide 1-[4-[(1S)-1-methylpropyl]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) | 1.67 | 4.84 | -4.45 | 2 | 4 | 0 | 50 | 311.495 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.67 | 6.64 | -37.5 | 3 | 4 | 1 | 51 | 312.503 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
