| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 13 | Yes |
Popular Name: Piperazine, 1-[(2S)-2,4-diamino-1-oxobutyl]- (9CI) Piperazine, 1-[(2S)-2,4-diamino-…
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CAS Number: 620947-80-0
| 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) | -3.10 | -4.09 | -125.74 | 7 | 5 | 2 | 88 | 188.275 | 3 | ↓ |
| Mid Mid (pH 6-8) | -3.10 | -4.42 | -56.16 | 6 | 5 | 1 | 86 | 187.267 | 3 | ↓ |
| Mid Mid (pH 6-8) | -3.10 | -3.02 | -116.56 | 7 | 5 | 2 | 91 | 188.275 | 3 | ↓ |
