| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2010 | 17 | Yes |
Popular Name: (3S)-N-[(3-chlorophenyl)methyl]-1-isopropyl-pyrrolidin-3-amine (3S)-N-[(3-chlorophenyl)methyl]-…
| 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) | 2.97 | 7.4 | -33 | 2 | 2 | 1 | 16 | 253.797 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.97 | 4.93 | -2.36 | 1 | 2 | 0 | 15 | 252.789 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.97 | 6.07 | -42.69 | 2 | 2 | 1 | 20 | 253.797 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.97 | 8.54 | -114.98 | 3 | 2 | 2 | 21 | 254.805 | 4 | ↓ |
