| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 18th, 2011 | 26 | Yes |
Popular Name: (2S)-2-methyl-N-[4-[[4-(2-pyridyl)piperazin-1-yl]methyl]phenyl]butanamide (2S)-2-methyl-N-[4-[[4-(2-pyridy…
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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) | 3.23 | 8.9 | -32.26 | 2 | 5 | 1 | 50 | 353.49 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.23 | 8.56 | -10.54 | 1 | 5 | 0 | 48 | 352.482 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.23 | 10.78 | -43.98 | 2 | 5 | 1 | 50 | 353.49 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.23 | 11.12 | -96.13 | 3 | 5 | 2 | 51 | 354.498 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
