In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 19 | Yes |
Popular Name: (3S,4R)-N3,N4-diethyl-N3-[[(2S)-tetrahydrofuran-2-yl]methyl]heptane-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) | 3.54 | 8.02 | -99.95 | 3 | 3 | 2 | 30 | 272.477 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.54 | 6.93 | -28.78 | 2 | 3 | 1 | 26 | 271.469 | 10 | ↓ |