| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2009 | 12 | No |
Popular Name: 2,5-Pyrrolidinedione, 3-(butylamino)- (9CI) 2,5-Pyrrolidinedione, 3-(butylam…
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CAS Number: 474766-31-9
| 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) | 0.08 | 0.8 | -50.66 | 3 | 4 | 1 | 63 | 171.22 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.08 | -0.44 | -8.88 | 2 | 4 | 0 | 58 | 170.212 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.08 | -0.43 | -6.97 | 2 | 4 | 0 | 58 | 170.212 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.27 | -1.72 | -43.91 | 2 | 4 | 0 | 69 | 170.212 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.27 | -1.74 | -43.9 | 2 | 4 | 0 | 69 | 170.212 | 4 | ↓ |
