In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 21 | Yes |
Popular Name: (1S)-N,N'-diethyl-1-(p-tolyl)-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine (1S)-N,N'-diethyl-1-(p-tolyl)-N'…
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) | 3.28 | 8.14 | -30.13 | 2 | 3 | 1 | 29 | 291.459 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.28 | 7.25 | -3.2 | 1 | 3 | 0 | 24 | 290.451 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.28 | 8.76 | -30.78 | 2 | 3 | 1 | 26 | 291.459 | 8 | ↓ |