| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 20 | Yes |
Popular Name: (2S)-2-cyclopropyl-2-(isopropylamino)-3-(4-methyl-1,4-diazepan-1-yl)propanoic (2S)-2-cyclopropyl-2-(isopropyla…
| 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) | -0.84 | 6.71 | -64.29 | 3 | 5 | 1 | 64 | 284.424 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.84 | 5.91 | -35.35 | 2 | 5 | 0 | 60 | 283.416 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.84 | 5.15 | -31.62 | 2 | 5 | 0 | 63 | 283.416 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -0.84 | 7.01 | -69.08 | 3 | 5 | 1 | 64 | 284.424 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -0.84 | 8.38 | -154.62 | 4 | 5 | 2 | 66 | 285.432 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
