In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 21 | Yes |
Popular Name: 1-ethyl-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-benzofuran-4-yl]piperidin-4-amine 1-ethyl-N-[(4S)-2,6,6-trimethyl-…
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) | 2.45 | 8.38 | -36.35 | 2 | 3 | 1 | 30 | 291.459 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.45 | 8.94 | -102.09 | 3 | 3 | 2 | 34 | 292.467 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.45 | 6.7 | -38.63 | 2 | 3 | 1 | 33 | 291.459 | 3 | ↓ |