| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 21 | Yes |
Popular Name: 3-[[(1S)-2-amino-1-(5-bromo-2-thienyl)ethyl]-(3-pyridylmethyl)amino]propanenitrile 3-[[(1S)-2-amino-1-(5-bromo-2-th…
| 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) | 1.18 | 5.18 | -66.66 | 3 | 4 | 1 | 68 | 366.308 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.18 | 4.82 | -8.94 | 2 | 4 | 0 | 66 | 365.3 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.18 | 5.65 | -131.38 | 4 | 4 | 2 | 69 | 367.316 | 7 | ↓ |
