In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 11th, 2011 | 20 | Yes |
Popular Name: [(2R)-4-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]morpholin-2-yl]methanamine [(2R)-4-[(5-fluoro-3-methyl-1H-i…
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) | 0.38 | 2.49 | -46.91 | 4 | 4 | 1 | 56 | 278.351 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.38 | 2.04 | -6.97 | 3 | 4 | 0 | 54 | 277.343 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.38 | 4.76 | -116.28 | 5 | 4 | 2 | 57 | 279.359 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.