In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 23rd, 2010 | 24 | Yes |
Popular Name: 2-(2-amino-2-oxo-ethoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide 2-(2-amino-2-oxo-ethoxy)-N-[3-(4…
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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) | 0.61 | 3.5 | -54.35 | 4 | 7 | 1 | 89 | 335.428 | 8 | ↓ |
Hi High (pH 8-9.5) | 0.61 | 3.39 | -54.98 | 4 | 7 | 1 | 89 | 335.428 | 8 | ↓ |
Hi High (pH 8-9.5) | 0.61 | 1.12 | -23.26 | 3 | 7 | 0 | 88 | 334.42 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.