In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2009 | 20 | Yes |
Popular Name: 2-[4-[[(1S)-1-(2,5-dimethyl-3-furyl)ethyl]amino]-1-piperidyl]acetamide 2-[4-[[(1S)-1-(2,5-dimethyl-3-fu…
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) | 0.60 | 2.38 | -42.26 | 4 | 5 | 1 | 76 | 280.392 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.60 | 1.29 | -10.3 | 3 | 5 | 0 | 71 | 279.384 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.60 | 4.57 | -109.81 | 5 | 5 | 2 | 77 | 281.4 | 5 | ↓ |