In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2009 | 19 | Yes |
Popular Name: 5-[(1R)-2-amino-1-[butyl(ethyl)amino]ethyl]-2-methoxy-phenol 5-[(1R)-2-amino-1-[butyl(ethyl)a…
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) | 1.88 | 4.52 | -134.51 | 5 | 4 | 2 | 62 | 268.401 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.88 | 4.38 | -37.03 | 4 | 4 | 1 | 60 | 267.393 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.88 | 2.68 | -56.21 | 4 | 4 | 1 | 60 | 267.393 | 8 | ↓ |