In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 18 | Yes |
Popular Name: (2S)-1-[[(1R)-2-amino-1-(4-fluorophenyl)ethyl]-methyl-amino]-3-methoxy-propan-2-ol (2S)-1-[[(1R)-2-amino-1-(4-fluor…
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) | 0.23 | 0.17 | -58.14 | 4 | 4 | 1 | 60 | 257.329 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.23 | 2.25 | -37.42 | 4 | 4 | 1 | 60 | 257.329 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.23 | 1.91 | -128.1 | 5 | 4 | 2 | 62 | 258.337 | 7 | ↓ |