In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2008 | 21 | Yes |
Popular Name: (1S)-1-(5-bromobenzofuran-2-yl)-N-(2-morpholinoethyl)ethanamine (1S)-1-(5-bromobenzofuran-2-yl)-…
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) | 3.28 | 5.44 | -46.08 | 2 | 4 | 1 | 42 | 354.268 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.28 | 4.16 | -5.15 | 1 | 4 | 0 | 38 | 353.26 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.28 | 7.79 | -127.36 | 3 | 4 | 2 | 43 | 355.276 | 5 | ↓ |