| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 18th, 2011 | 26 | No |
Popular Name: (2R)-2-methylsulfanyl-N-[4-[[4-(2-pyridyl)piperazin-1-yl]methyl]phenyl]propanamide (2R)-2-methylsulfanyl-N-[4-[[4-(…
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| 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) | 2.50 | 8.61 | -34.05 | 2 | 5 | 1 | 50 | 371.53 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.50 | 10.49 | -46.14 | 2 | 5 | 1 | 50 | 371.53 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.50 | 10.83 | -97.89 | 3 | 5 | 2 | 51 | 372.538 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.50 | 8.27 | -12.83 | 1 | 5 | 0 | 48 | 370.522 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
