| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2010 | 17 | Yes |
Popular Name: (5S)-1-[(3R)-1-cyclopropylpyrrolidin-3-yl]-5-ethyl-1,4-diazepane (5S)-1-[(3R)-1-cyclopropylpyrrol…
| 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) | 1.64 | 6.38 | -85.42 | 3 | 3 | 2 | 24 | 239.407 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.64 | 3.98 | -34.58 | 2 | 3 | 1 | 23 | 238.399 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.64 | 5.27 | -29.62 | 2 | 3 | 1 | 20 | 238.399 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.64 | 2.88 | -1.22 | 1 | 3 | 0 | 19 | 237.391 | 3 | ↓ |
