In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 21st, 2010 | 16 | Yes |
Popular Name: (3S)-1-cyclopropyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]pyrrolidin-3-amine (3S)-1-cyclopropyl-N-[[(2S)-tetr…
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) | 1.49 | 5.22 | -29.34 | 2 | 3 | 1 | 26 | 225.356 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.49 | 2.87 | -1.7 | 1 | 3 | 0 | 24 | 224.348 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.49 | 6.39 | -104.58 | 3 | 3 | 2 | 30 | 226.364 | 4 | ↓ |