In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 19 | Yes |
Popular Name: (1S,2R)-N1,N2-dimethyl-1-phenyl-N2-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,2-diamine (1S,2R)-N1,N2-dimethyl-1-phenyl-…
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) | 2.41 | 7.58 | -105.86 | 3 | 3 | 2 | 30 | 264.413 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.41 | 4.32 | -4.2 | 1 | 3 | 0 | 24 | 262.397 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.41 | 5.43 | -39.13 | 2 | 3 | 1 | 29 | 263.405 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.41 | 5.92 | -29.74 | 2 | 3 | 1 | 26 | 263.405 | 6 | ↓ |