In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 21 | Yes |
Popular Name: (1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2S)-2-methylmorpholin-4-yl]ethanamine (1R)-1-(3,4-dihydro-2H-1,5-benzo…
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) | -0.56 | 3 | -51.05 | 3 | 5 | 1 | 59 | 293.387 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.56 | 2.35 | -6.91 | 2 | 5 | 0 | 57 | 292.379 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.56 | 4.96 | -142.24 | 4 | 5 | 2 | 60 | 294.395 | 3 | ↓ |