In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 18 | Yes |
Popular Name: (2S)-1-[[(1R,2R)-2-amino-1-phenyl-propyl]-methyl-amino]-3-methoxy-propan-2-ol (2S)-1-[[(1R,2R)-2-amino-1-pheny…
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) | 0.47 | 0.7 | -39.69 | 4 | 4 | 1 | 60 | 253.366 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.47 | 2.42 | -115.93 | 5 | 4 | 2 | 62 | 254.374 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.47 | 2.16 | -35.55 | 4 | 4 | 1 | 60 | 253.366 | 7 | ↓ |