In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 3rd, 2010 | 18 | Yes |
Popular Name: (1S)-1-(5-ethyl-2-thienyl)-N-methyl-N-[(1S)-1,2,2-trimethylpropyl]ethane-1,2-diamine (1S)-1-(5-ethyl-2-thienyl)-N-met…
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) | 3.46 | 6.06 | -44.78 | 3 | 2 | 1 | 31 | 269.478 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.46 | 5.63 | -1.26 | 2 | 2 | 0 | 29 | 268.47 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.46 | 7.47 | -27.03 | 3 | 2 | 1 | 30 | 269.478 | 6 | ↓ |