| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 2008 | 22 | Yes |
Popular Name: 2-ethyl-N-[(2S)-2-(4-methylpiperazin-1-yl)-2-(3-thienyl)ethyl]butanamide 2-ethyl-N-[(2S)-2-(4-methylpiper…
| 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) | 2.64 | 6.88 | -39.01 | 2 | 4 | 1 | 37 | 324.514 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.64 | 6.5 | -37.81 | 2 | 4 | 1 | 37 | 324.514 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.64 | 4.93 | -6.91 | 1 | 4 | 0 | 36 | 323.506 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
