In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 33 | Yes |
Popular Name: benzyl-[[(2-hydroxy-2-methyl-propyl)-(3-methoxypropyl)amino]methyl]BLAHone benzyl-[[(2-hydroxy-2-methyl-pro…
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) | 2.50 | 8.09 | -49.36 | 3 | 7 | 1 | 83 | 471.647 | 10 | ↓ |
Hi High (pH 8-9.5) | 2.50 | 5.22 | -12.28 | 2 | 7 | 0 | 82 | 470.639 | 10 | ↓ |
Hi High (pH 8-9.5) | 2.95 | 5.45 | -41.85 | 2 | 7 | 0 | 86 | 470.639 | 10 | ↓ |