In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 21 | Yes |
Popular Name: (1R,2S)-N1,N2,3-trimethyl-1-phenyl-N2-[[(2S)-tetrahydrofuran-2-yl]methyl]butane-1,2-diamine (1R,2S)-N1,N2,3-trimethyl-1-phen…
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) | 3.19 | 8.14 | -110.89 | 3 | 3 | 2 | 30 | 292.467 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.19 | 7.41 | -39.76 | 2 | 3 | 1 | 29 | 291.459 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.19 | 9 | -28.32 | 2 | 3 | 1 | 26 | 291.459 | 7 | ↓ |