In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2010 | 19 | Yes |
Popular Name: (2S)-1-(3-bromophenoxy)-3-[[(2S)-3-methoxy-2-methyl-propyl]amino]propan-2-ol (2S)-1-(3-bromophenoxy)-3-[[(2S)…
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) | 2.30 | 3.8 | -48.68 | 3 | 4 | 1 | 55 | 333.246 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.30 | 2.59 | -7.37 | 2 | 4 | 0 | 51 | 332.238 | 9 | ↓ |