In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2010 | 21 | Yes |
Popular Name: (2S)-1-[[(1S,3R)-1-(hydroxymethyl)-3-methyl-cyclohexyl]amino]-3-phenoxy-propan-2-ol (2S)-1-[[(1S,3R)-1-(hydroxymethy…
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) | 2.48 | 2.61 | -39.51 | 4 | 4 | 1 | 66 | 294.415 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.48 | 1.38 | -7.56 | 3 | 4 | 0 | 62 | 293.407 | 7 | ↓ |