In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 17 | Yes |
Popular Name: (3S)-N1-ethyl-N3-propyl-N1-[[(2S)-tetrahydrofuran-2-yl]methyl]butane-1,3-diamine (3S)-N1-ethyl-N3-propyl-N1-[[(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) | 2.36 | 5.22 | -36.7 | 2 | 3 | 1 | 29 | 243.415 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.36 | 6.36 | -28.26 | 2 | 3 | 1 | 26 | 243.415 | 9 | ↓ |