| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2010 | 19 | No |
Popular Name: (3S)-1-isopropyl-N-[(2-nitrophenyl)methyl]pyrrolidin-3-amine (3S)-1-isopropyl-N-[(2-nitrophen…
| 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) | 2.23 | 8.45 | -111.38 | 3 | 5 | 2 | 67 | 265.357 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.23 | 5.03 | -7.76 | 1 | 5 | 0 | 61 | 263.341 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.23 | 7.5 | -36.42 | 2 | 5 | 1 | 62 | 264.349 | 5 | ↓ |
