In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2008 | 15 | Yes |
Popular Name: 10-Chloro-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline 10-Chloro-2,3,4,6,7,11b-hexahydr…
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CAS Numbers: 1082914-74-6 , 1245644-01-2
None
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) | 1.87 | 6.54 | -122.16 | 3 | 2 | 2 | 21 | 224.735 | 0 | ↓ |
Hi High (pH 8-9.5) | 1.87 | 2.96 | -3.47 | 1 | 2 | 0 | 15 | 222.719 | 0 | ↓ |
Mid Mid (pH 6-8) | 1.87 | 4.35 | -43.68 | 2 | 2 | 1 | 20 | 223.727 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.