In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 4th, 2009 | 16 | Yes |
Popular Name: 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[(2S)-tetrahydropyran-2-yl]methyl]methanamine 1-[(2S)-1-ethylpyrrolidin-2-yl]-…
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) | 1.42 | 5.32 | -29.42 | 2 | 3 | 1 | 26 | 227.372 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.42 | 6.75 | -108.83 | 3 | 3 | 2 | 30 | 228.38 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.42 | 4.94 | -33.19 | 2 | 3 | 1 | 29 | 227.372 | 5 | ↓ |