| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 20 | Yes |
Popular Name: (2R)-2-cyclopropyl-3-(4-methyl-1,4-diazepan-1-yl)-2-(propylamino)propanamide (2R)-2-cyclopropyl-3-(4-methyl-1…
| 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) | 0.83 | 3.72 | -86.03 | 5 | 5 | 2 | 67 | 284.448 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.83 | 3.31 | -36.55 | 4 | 5 | 1 | 63 | 283.44 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.83 | 3.13 | -40.42 | 4 | 5 | 1 | 66 | 283.44 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.83 | 2.6 | -5.93 | 3 | 5 | 0 | 62 | 282.432 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
