| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 23rd, 2008 | 25 | Yes |
Popular Name: 2-[(4-oxo-4-phenylbutyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile 2-[(4-oxo-4-phenylbutyl)sulfanyl…
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CAS Number: 445384-16-7
| 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) | 4.93 | 12.44 | -12.77 | 0 | 3 | 0 | 54 | 350.487 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.93 | 12.67 | -44.96 | 1 | 3 | 1 | 55 | 351.495 | 6 | ↓ |
