In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 17 | Yes |
Popular Name: (1S)-N-ethyl-1-(3-methyl-2-thienyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (1S)-N-ethyl-1-(3-methyl-2-thien…
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) | 2.31 | 3.87 | -44.36 | 3 | 2 | 1 | 31 | 267.34 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.31 | 3.15 | -3.11 | 2 | 2 | 0 | 29 | 266.332 | 6 | ↓ |