In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 21st, 2011 | 21 | Yes |
Popular Name: (2S)-2-cyclopropyl-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(propylamino)propanoic (2S)-2-cyclopropyl-3-(6,8-dihydr…
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) | -1.38 | 8.4 | -80.6 | 3 | 6 | 1 | 79 | 293.391 | 7 | ↓ |
Hi High (pH 8-9.5) | -1.38 | 8.78 | -46.8 | 2 | 6 | 0 | 78 | 292.383 | 7 | ↓ |
Hi High (pH 8-9.5) | -1.38 | 8.26 | -42.02 | 2 | 6 | 0 | 74 | 292.383 | 7 | ↓ |
Mid Mid (pH 6-8) | -1.38 | 9.25 | -53.2 | 3 | 6 | 1 | 79 | 293.391 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.