| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 20 | Yes |
Popular Name: (2S)-2-cyclopropyl-3-(4-methyl-1,4-diazepan-1-yl)-2-(propylamino)propanoic (2S)-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) | -0.64 | 6.69 | -62.91 | 3 | 5 | 1 | 64 | 284.424 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.64 | 6.73 | -34.41 | 2 | 5 | 0 | 60 | 283.416 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.64 | 5.47 | -35.19 | 2 | 5 | 0 | 63 | 283.416 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -0.64 | 8.97 | -139.9 | 4 | 5 | 2 | 66 | 285.432 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -0.64 | 9.26 | -62.07 | 3 | 5 | 1 | 64 | 284.424 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
