In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2010 | 20 | Yes |
Popular Name: (3S)-1-cyclopropyl-N-[[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]pyrrolidin-3-amine (3S)-1-cyclopropyl-N-[[(1R)-1,2,…
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) | 1.97 | 4.94 | -42.45 | 3 | 3 | 1 | 32 | 272.416 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.97 | 3.8 | -2.83 | 2 | 3 | 0 | 27 | 271.408 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.97 | 7.39 | -92.29 | 4 | 3 | 2 | 33 | 273.424 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.97 | 7.29 | -115.79 | 4 | 3 | 2 | 33 | 273.424 | 4 | ↓ |