| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 28th, 2011 | 22 | Yes |
Popular Name: (3S)-4-(2-hydroxy-3-methoxy-5-methyl-benzoyl)-3-isopropyl-piperazin-2-one (3S)-4-(2-hydroxy-3-methoxy-5-me…
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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) | 1.47 | 2.88 | -17.97 | 2 | 6 | 0 | 79 | 306.362 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.47 | 3.86 | -60.92 | 1 | 6 | -1 | 82 | 305.354 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
