| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 21 | Yes |
Popular Name: (2S)-2-cyclopropyl-3-[methyl-[(3R)-1-methyl-3-piperidyl]amino]-2-(propylamino)propanamide (2S)-2-cyclopropyl-3-[methyl-[(3…
| 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) | 1.08 | 3.76 | -95.14 | 5 | 5 | 2 | 67 | 298.475 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.08 | 4 | -37.28 | 4 | 5 | 1 | 63 | 297.467 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.08 | 4.26 | -38.43 | 4 | 5 | 1 | 63 | 297.467 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.08 | 1.69 | -5.69 | 3 | 5 | 0 | 62 | 296.459 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.08 | 1.21 | -38.96 | 4 | 5 | 1 | 66 | 297.467 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
