| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 16 | Yes |
Popular Name: (3S)-N-(2-imidazol-1-ylethyl)-1-isopropyl-pyrrolidin-3-amine (3S)-N-(2-imidazol-1-ylethyl)-1-…
| 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) | 0.60 | 6.99 | -77.22 | 3 | 4 | 2 | 36 | 224.352 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.60 | 4.02 | -6.23 | 1 | 4 | 0 | 33 | 222.336 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.60 | 6.48 | -38.08 | 2 | 4 | 1 | 34 | 223.344 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.60 | 8.12 | -189.53 | 4 | 4 | 3 | 40 | 225.36 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.60 | 5.66 | -104.76 | 3 | 4 | 2 | 39 | 224.352 | 5 | ↓ |
