| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 20 | Yes |
Popular Name: (3S)-1-isopropyl-N-[(1S)-2-(2-methoxyphenyl)-1-methyl-ethyl]pyrrolidin-3-amine (3S)-1-isopropyl-N-[(1S)-2-(2-me…
| 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) | 3.06 | 8.7 | -103.05 | 3 | 3 | 2 | 30 | 278.44 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.06 | 5.3 | -2.75 | 1 | 3 | 0 | 24 | 276.424 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.06 | 7.69 | -30.71 | 2 | 3 | 1 | 26 | 277.432 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.06 | 6.3 | -34.81 | 2 | 3 | 1 | 29 | 277.432 | 6 | ↓ |
