In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 17th, 2010 | 22 | Yes |
Popular Name: 2-[4-(1,2-benzoxazol-3-yl)-1-piperidyl]-N,N-diethyl-ethanamine 2-[4-(1,2-benzoxazol-3-yl)-1-pip…
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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) | 3.15 | 10.89 | -121.3 | 2 | 4 | 2 | 35 | 303.45 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.15 | 6.51 | -8.17 | 0 | 4 | 0 | 33 | 301.434 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.15 | 8.65 | -40.45 | 1 | 4 | 1 | 34 | 302.442 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.15 | 8.79 | -44.47 | 1 | 4 | 1 | 34 | 302.442 | 6 | ↓ |