In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 26 | Yes |
Popular Name: [[(2R)-2-hydroxy-3-phenyl-propyl]-methyl-amino]methylBLAHone [[(2R)-2-hydroxy-3-phenyl-propyl…
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) | 2.47 | 8.63 | -56.91 | 3 | 5 | 1 | 70 | 370.498 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.93 | 5.88 | -55.8 | 2 | 5 | 0 | 74 | 369.49 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.47 | 6.32 | -14.49 | 2 | 5 | 0 | 69 | 369.49 | 6 | ↓ |