In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 20 | Yes |
Popular Name: (1S)-2-ethyl-1-phenyl-N-[(1R)-1-(2-thienyl)ethyl]butan-1-amine (1S)-2-ethyl-1-phenyl-N-[(1R)-1-…
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) | 5.66 | 11.05 | -31.03 | 2 | 1 | 1 | 17 | 288.48 | 7 | ↓ |
Hi High (pH 8-9.5) | 5.66 | 10.82 | -1.84 | 1 | 1 | 0 | 12 | 287.472 | 7 | ↓ |