| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 18th, 2009 | 19 | Yes |
Popular Name: (2S)-2-[[4-[(1R)-1-[[(1S)-1-cyanoethyl]amino]ethyl]phenyl]methylamino]propanenitrile (2S)-2-[[4-[(1R)-1-[[(1S)-1-cyan…
| 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) | 1.84 | 4.93 | -10.72 | 2 | 4 | 0 | 72 | 256.353 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.84 | 6.2 | -53.37 | 3 | 4 | 1 | 76 | 257.361 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.84 | 5.74 | -51.31 | 3 | 4 | 1 | 76 | 257.361 | 6 | ↓ |
