In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2010 | 21 | Yes |
Popular Name: 2-[4-[(1S)-1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]amino]ethyl]phenoxy]acetonitrile 2-[4-[(1S)-1-[[(3S)-1-cyclopropy…
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) | 2.41 | 6.5 | -47.51 | 2 | 4 | 1 | 53 | 286.399 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.41 | 8.85 | -120.01 | 3 | 4 | 2 | 54 | 287.407 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.41 | 7.94 | -38.53 | 2 | 4 | 1 | 49 | 286.399 | 6 | ↓ |