| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 21st, 2010 | 18 | Yes |
Popular Name: 4-[[methyl-[(1S)-1-(2-thienyl)ethyl]amino]methyl]benzonitrile 4-[[methyl-[(1S)-1-(2-thienyl)et…
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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) | 3.35 | 10.1 | -45.48 | 1 | 2 | 1 | 28 | 257.382 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.35 | 7.79 | -6.25 | 0 | 2 | 0 | 27 | 256.374 | 4 | ↓ |
