In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 20 | Yes |
Popular Name: 2-methyl-N-[2-[[(1R)-1-(2,4,6-trimethyl-3-pyridyl)ethyl]amino]ethyl]propanamide 2-methyl-N-[2-[[(1R)-1-(2,4,6-tr…
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) | 2.25 | 5.68 | -49.32 | 3 | 4 | 1 | 59 | 278.42 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.25 | 5.33 | -11.4 | 2 | 4 | 0 | 54 | 277.412 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.25 | 5.71 | -31 | 3 | 4 | 1 | 55 | 278.42 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.25 | 6.06 | -102.6 | 4 | 4 | 2 | 60 | 279.428 | 6 | ↓ |