| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 19 | Yes |
Popular Name: (2S)-2-cyclopropyl-2-(ethylamino)-3-(4-methyl-1,4-diazepan-1-yl)propanoic (2S)-2-cyclopropyl-2-(ethylamino…
| 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 | 5.93 | -62.18 | 3 | 5 | 1 | 64 | 270.397 | 6 | ↓ |
| Hi High (pH 8-9.5) | -1.14 | 5.98 | -34.32 | 2 | 5 | 0 | 60 | 269.389 | 6 | ↓ |
| Hi High (pH 8-9.5) | -1.14 | 4.73 | -35.12 | 2 | 5 | 0 | 63 | 269.389 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -1.14 | 8.2 | -138.29 | 4 | 5 | 2 | 66 | 271.405 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -1.14 | 8.5 | -62.55 | 3 | 5 | 1 | 64 | 270.397 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
