In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 30 | Yes |
Popular Name: [[(2S)-3-(2-furylmethoxy)-2-hydroxy-propyl]-isobutyl-amino]methylBLAHone [[(2S)-3-(2-furylmethoxy)-2-hydr…
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) | 2.62 | 8.43 | -55.75 | 3 | 7 | 1 | 93 | 432.566 | 10 | ↓ |
Hi High (pH 8-9.5) | 3.08 | 5.36 | -53.46 | 2 | 7 | 0 | 96 | 431.558 | 10 | ↓ |
Hi High (pH 8-9.5) | 2.62 | 6.43 | -17.63 | 2 | 7 | 0 | 92 | 431.558 | 10 | ↓ |