In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 7th, 2010 | 11 | Yes |
Popular Name: 1-(Azetidin-3-yl)piperidin-4-ol dihydrochloride 1-(Azetidin-3-yl)piperidin-4-ol …
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CAS Number: 810680-60-5
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) | -1.00 | -1.68 | -39.55 | 3 | 3 | 1 | 40 | 157.237 | 1 | ↓ |
Hi High (pH 8-9.5) | -1.00 | -3.36 | -2.99 | 2 | 3 | 0 | 35 | 156.229 | 1 | ↓ |
Mid Mid (pH 6-8) | -1.00 | 0.49 | -112.86 | 4 | 3 | 2 | 41 | 158.245 | 1 | ↓ |
Lo Low (pH 4.5-6) | -1.00 | -1.19 | -34 | 3 | 3 | 1 | 37 | 157.237 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.