| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2011 | 20 | Yes |
Popular Name: (3S)-3-butyl-4-[[5-(hydroxymethyl)-2-furyl]methyl]-1-methyl-piperazin-2-one (3S)-3-butyl-4-[[5-(hydroxymethy…
| 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) | 1.72 | 4.83 | -43.86 | 2 | 5 | 1 | 58 | 281.376 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.72 | 3.13 | -10.22 | 1 | 5 | 0 | 57 | 280.368 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
