In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 20 | No |
Popular Name: 4-[[[(1R)-2-methyl-1-phenyl-propyl]amino]methyl]benzene-1,2-diol 4-[[[(1R)-2-methyl-1-phenyl-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) | 3.23 | 5.14 | -45.08 | 4 | 3 | 1 | 57 | 272.368 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.23 | 3.89 | -6.74 | 3 | 3 | 0 | 52 | 271.36 | 5 | ↓ |