| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 17 | Yes |
Popular Name: (3S)-3-(aminomethyl)-N-butyl-N-ethyl-1-isopropyl-pyrrolidin-3-amine (3S)-3-(aminomethyl)-N-butyl-N-e…
| 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) | 1.85 | 6.57 | -95.52 | 4 | 3 | 2 | 35 | 243.439 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.85 | 2.69 | -38.94 | 3 | 3 | 1 | 34 | 242.431 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.85 | 4.8 | -30.35 | 3 | 3 | 1 | 34 | 242.431 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.85 | 3.78 | -117.65 | 4 | 3 | 2 | 35 | 243.439 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.85 | 4.1 | -27.7 | 3 | 3 | 1 | 34 | 242.431 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.85 | 6.25 | -220.94 | 5 | 3 | 3 | 37 | 244.447 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.85 | 5.16 | -102.43 | 4 | 3 | 2 | 35 | 243.439 | 7 | ↓ |
