In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 12th, 2009 | 24 | Yes |
Popular Name: 2-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]propyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole 2-[3-[(3S,5R)-3,5-dimethylpipera…
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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) | 2.78 | 8.11 | -94.59 | 4 | 4 | 2 | 40 | 328.504 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.78 | 5.87 | -37.4 | 3 | 4 | 1 | 39 | 327.496 | 4 | ↓ |