In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 18 | Yes |
Popular Name: (3S,4R)-N3,N4-diethyl-N3-[[(2S)-tetrahydrofuran-2-yl]methyl]tetrahydropyran-3,4-diamine (3S,4R)-N3,N4-diethyl-N3-[[(2S)-…
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) | 1.34 | 3.48 | -31.76 | 2 | 4 | 1 | 38 | 257.398 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.34 | 2.36 | -2.75 | 1 | 4 | 0 | 34 | 256.39 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.35 | 3.71 | -29.72 | 2 | 4 | 1 | 35 | 257.398 | 6 | ↓ |