| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 19 | Yes |
Popular Name: (3S)-1-isopropyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine (3S)-1-isopropyl-N-[(1S)-1-(4-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) | 3.31 | 7.26 | -40.5 | 2 | 2 | 1 | 20 | 279.473 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.31 | 6.34 | -2.48 | 1 | 2 | 0 | 15 | 278.465 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.31 | 8.67 | -33.08 | 2 | 2 | 1 | 16 | 279.473 | 5 | ↓ |
