| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 18 | Yes |
Popular Name: (2S)-2-cyclopropyl-2-(methylamino)-3-(4-methyl-1,4-diazepan-1-yl)propanoic (2S)-2-cyclopropyl-2-(methylamin…
| 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) | -1.52 | 5.15 | -64.54 | 3 | 5 | 1 | 64 | 256.37 | 5 | ↓ |
| Hi High (pH 8-9.5) | -1.52 | 3.93 | -37.21 | 2 | 5 | 0 | 63 | 255.362 | 5 | ↓ |
| Mid Mid (pH 6-8) | -1.52 | 5.16 | -34.44 | 2 | 5 | 0 | 60 | 255.362 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -1.52 | 7.43 | -139.84 | 4 | 5 | 2 | 66 | 257.378 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -1.52 | 7.81 | -64.5 | 3 | 5 | 1 | 64 | 256.37 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
