| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 18 | Yes |
Popular Name: (2S)-2-amino-2-cyclopropyl-3-[methyl-[[(2R)-tetrahydropyran-2-yl]methyl]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) | -1.17 | 5.77 | -66.64 | 4 | 5 | 1 | 81 | 257.354 | 6 | ↓ |
| Hi High (pH 8-9.5) | -1.17 | 3.6 | -47.8 | 2 | 5 | -1 | 79 | 255.338 | 6 | ↓ |
| Mid Mid (pH 6-8) | -1.17 | 6.01 | -37.53 | 3 | 5 | 0 | 80 | 256.346 | 6 | ↓ |
| Mid Mid (pH 6-8) | -1.17 | 3.93 | -32.66 | 3 | 5 | 0 | 80 | 256.346 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
