In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 11th, 2010 | 18 | Yes |
Popular Name: [4-[(1R)-2-amino-1-(5-bromo-2-thienyl)ethoxy]phenyl]methanol [4-[(1R)-2-amino-1-(5-bromo-2-th…
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) | 2.55 | 3.19 | -50.22 | 4 | 3 | 1 | 57 | 329.239 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.55 | 2.88 | -7.26 | 3 | 3 | 0 | 55 | 328.231 | 5 | ↓ |