| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2012 | 22 | Yes |
Popular Name: 4-[(1S)-1-[[(1R)-1-(3-bromo-4-methoxy-phenyl)ethyl]amino]ethyl]benzonitrile 4-[(1S)-1-[[(1R)-1-(3-bromo-4-me…
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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) | 4.56 | 9.8 | -55.54 | 2 | 3 | 1 | 50 | 360.275 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.56 | 8.85 | -7.91 | 1 | 3 | 0 | 45 | 359.267 | 5 | ↓ |
