In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 10th, 2010 | 18 | Yes |
Popular Name: (2S)-1-[[(1S,2R)-2-amino-1-(3-methyl-2-thienyl)propyl]-methyl-amino]-3-methoxy-propan-2-ol (2S)-1-[[(1S,2R)-2-amino-1-(3-me…
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) | 0.75 | 0.51 | -46.52 | 4 | 4 | 1 | 60 | 273.422 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.75 | 0.27 | -6.14 | 3 | 4 | 0 | 59 | 272.414 | 7 | ↓ |