In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 17 | Yes |
Popular Name: (3S,4R)-N3,N3-bis(2-methoxyethyl)-N4-methyl-tetrahydropyran-3,4-diamine (3S,4R)-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) | 0.19 | 0.61 | -31.29 | 2 | 5 | 1 | 48 | 247.359 | 8 | ↓ |
Hi High (pH 8-9.5) | 0.19 | -0.7 | -3.38 | 1 | 5 | 0 | 43 | 246.351 | 8 | ↓ |
Mid Mid (pH 6-8) | 0.19 | 0.44 | -29.1 | 2 | 5 | 1 | 44 | 247.359 | 8 | ↓ |