In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 17 | Yes |
Popular Name: (2R,3R)-N3-ethyl-N2-propyl-N3-[[(2S)-tetrahydrofuran-2-yl]methyl]butane-2,3-diamine (2R,3R)-N3-ethyl-N2-propyl-N3-[[…
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) | 2.42 | 5.13 | -35.27 | 2 | 3 | 1 | 29 | 243.415 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.42 | 4.08 | -2.04 | 1 | 3 | 0 | 24 | 242.407 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.42 | 5.91 | -28.49 | 2 | 3 | 1 | 26 | 243.415 | 8 | ↓ |