In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2009 | 28 | No |
Popular Name: 1-(m-tolyl)-3-[(1R,5S)-9-phenethyl-9-azabicyclo[3.3.1]nonan-7-yl]thiourea 1-(m-tolyl)-3-[(1R,5S)-9-pheneth…
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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) | 4.88 | 13.74 | -48.37 | 3 | 3 | 1 | 28 | 394.608 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.88 | 11.83 | -10.47 | 2 | 3 | 0 | 27 | 393.6 | 7 | ↓ |