In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 16 | Yes |
Popular Name: 4-[[(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl]-methyl-amino]butanoic 4-[[(1S)-2-(isopropylamino)-1-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) | 0.24 | 5.35 | -55.82 | 2 | 5 | 0 | 74 | 230.308 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.24 | 3.04 | -54.12 | 1 | 5 | -1 | 72 | 229.3 | 7 | ↓ |