| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2008 | 16 | Yes |
Popular Name: 2-(3-Methylpiperazin-1-yl)nicotinic acid 2-(3-Methylpiperazin-1-yl)nicoti…
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CAS Number: 889957-87-3
| 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) | 0.64 | 3.9 | -65.11 | 2 | 5 | 0 | 73 | 221.26 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.64 | 2.55 | -53.02 | 1 | 5 | -1 | 68 | 220.252 | 2 | ↓ |
