| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 17 | Yes |
Popular Name: N-[(1S)-1-cyclopropyl-2-[(4S)-4-methylazepan-1-yl]ethyl]propan-1-amine N-[(1S)-1-cyclopropyl-2-[(4S)-4-…
| 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) | 3.28 | 9.48 | -112.34 | 3 | 2 | 2 | 21 | 240.435 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.28 | 8.64 | -29.88 | 2 | 2 | 1 | 16 | 239.427 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.28 | 9.7 | -32.13 | 2 | 2 | 1 | 20 | 239.427 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
