In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2011 | 20 | Yes |
Popular Name: [(2S,3S)-4-cyclopropyl-3-[5-[(1S,2S)-2-methylcyclopropyl]-2-furyl]morpholin-2-yl]methanamine [(2S,3S)-4-cyclopropyl-3-[5-[(1S…
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 | 4.33 | -42.02 | 3 | 4 | 1 | 53 | 277.388 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.38 | 3.85 | -4.98 | 2 | 4 | 0 | 52 | 276.38 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.38 | 6.43 | -101.49 | 4 | 4 | 2 | 54 | 278.396 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.