| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 18 | Yes |
Popular Name: (2S)-2-amino-2-cyclopropyl-3-[methyl-[(3S)-1-methyl-3-piperidyl]amino]propanoic (2S)-2-amino-2-cyclopropyl-3-[me…
| 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) | -1.63 | 5 | -70.43 | 4 | 5 | 1 | 75 | 256.37 | 5 | ↓ |
| Hi High (pH 8-9.5) | -1.63 | 4.12 | -34.62 | 3 | 5 | 0 | 74 | 255.362 | 5 | ↓ |
| Hi High (pH 8-9.5) | -1.63 | 2.37 | -33.98 | 3 | 5 | 0 | 74 | 255.362 | 5 | ↓ |
| Hi High (pH 8-9.5) | -1.63 | 2.44 | -47.87 | 2 | 5 | -1 | 73 | 254.354 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -1.63 | 6.74 | -140.52 | 5 | 5 | 2 | 77 | 257.378 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
