In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 24 | Yes |
Popular Name: [[(2R)-3-allyloxy-2-hydroxy-propyl]-methyl-amino]methylBLAHone [[(2R)-3-allyloxy-2-hydroxy-prop…
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) | 1.29 | 5.61 | -57.35 | 3 | 6 | 1 | 80 | 350.464 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.29 | 3.24 | -16.32 | 2 | 6 | 0 | 78 | 349.456 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.75 | 2.81 | -52.47 | 2 | 6 | 0 | 83 | 349.456 | 8 | ↓ |