| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 21 | Yes |
Popular Name: [4-[(2S)-2-hydroxy-3,3-dimethyl-butyl]piperazin-1-yl]-(5-methyl-2-furyl)methanone [4-[(2S)-2-hydroxy-3,3-dimethyl-…
| 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) | 1.80 | 5.58 | -43.83 | 2 | 5 | 1 | 58 | 295.403 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.80 | 3.29 | -8.57 | 1 | 5 | 0 | 57 | 294.395 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
