In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 18 | Yes |
Popular Name: (3S,4S)-N3-ethyl-N3-[(1S)-2-methoxy-1-methyl-ethyl]-N4-propyl-tetrahydropyran-3,4-diamine (3S,4S)-N3-ethyl-N3-[(1S)-2-meth…
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) | 1.79 | 4.18 | -33.06 | 2 | 4 | 1 | 38 | 259.414 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.79 | 2.67 | -1.55 | 1 | 4 | 0 | 34 | 258.406 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.79 | 4.49 | -26.19 | 2 | 4 | 1 | 35 | 259.414 | 8 | ↓ |