In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 16 | Yes |
Popular Name: 2-[[(1R)-2-amino-1-(2,6-dichlorophenyl)ethyl]-methyl-amino]ethanol 2-[[(1R)-2-amino-1-(2,6-dichloro…
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) | 1.36 | 2.12 | -39.7 | 4 | 3 | 1 | 51 | 264.176 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.36 | 2.14 | -4.11 | 3 | 3 | 0 | 49 | 263.168 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.36 | 3.24 | -103.31 | 5 | 3 | 2 | 52 | 265.184 | 5 | ↓ |