In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2010 | 18 | Yes |
Popular Name: (2S)-N2-[(1S)-1-(2,5-dimethyl-3-furyl)ethyl]-N1,N1-diethyl-propane-1,2-diamine (2S)-N2-[(1S)-1-(2,5-dimethyl-3-…
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) | 2.56 | 7.78 | -35.7 | 2 | 3 | 1 | 30 | 253.41 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.56 | 8.91 | -111.25 | 3 | 3 | 2 | 34 | 254.418 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.56 | 6.81 | -32.88 | 2 | 3 | 1 | 33 | 253.41 | 7 | ↓ |