| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 2nd, 2011 | 20 | Yes |
Popular Name: (2S)-2-(cyclopropylamino)-4-[4-[(1S)-1-methylpropyl]piperazin-1-yl]butanamide (2S)-2-(cyclopropylamino)-4-[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) | 1.14 | 2.93 | -88.79 | 5 | 5 | 2 | 67 | 284.448 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.14 | 0.11 | -5.99 | 3 | 5 | 0 | 62 | 282.432 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.14 | 2.37 | -42.64 | 4 | 5 | 1 | 63 | 283.44 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.14 | 2.01 | -35.48 | 4 | 5 | 1 | 63 | 283.44 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
