In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2010 | 17 | Yes |
Popular Name: (2S)-N2-[(1S)-1-cyclohexylethyl]-N1,N1-diethyl-propane-1,2-diamine (2S)-N2-[(1S)-1-cyclohexylethyl]…
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) | 3.83 | 7.28 | -31.2 | 2 | 2 | 1 | 20 | 241.443 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.83 | 8.3 | -31.48 | 2 | 2 | 1 | 16 | 241.443 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.83 | 9.38 | -109.04 | 3 | 2 | 2 | 21 | 242.451 | 7 | ↓ |