In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 16 | Yes |
Popular Name: (3S,4S)-N3,N3-bis(2-methoxyethyl)tetrahydropyran-3,4-diamine (3S,4S)-N3,N3-bis(2-methoxyethyl…
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) | -0.72 | -0.29 | -40.23 | 3 | 5 | 1 | 59 | 233.332 | 7 | ↓ |
Hi High (pH 8-9.5) | -0.72 | -0.86 | -3.64 | 2 | 5 | 0 | 57 | 232.324 | 7 | ↓ |
Mid Mid (pH 6-8) | -0.72 | 2.19 | -112.62 | 4 | 5 | 2 | 60 | 234.34 | 7 | ↓ |