| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 17 | Yes |
Popular Name: (3S)-N-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]-1-isopropyl-pyrrolidin-3-amine (3S)-N-[(1S)-2-imidazol-1-yl-1-m…
| 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) | 0.93 | 7.63 | -80.4 | 3 | 4 | 2 | 36 | 238.379 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.93 | 4.73 | -5.41 | 1 | 4 | 0 | 33 | 236.363 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.93 | 7.12 | -34.11 | 2 | 4 | 1 | 34 | 237.371 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.93 | 8.7 | -187.71 | 4 | 4 | 3 | 40 | 239.387 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.93 | 6.3 | -102 | 3 | 4 | 2 | 39 | 238.379 | 5 | ↓ |
